Chemical Library : Dataset Browser

BIMP_ID	Name	Mol Weight	LogP	HBD	HBA	TPSA	Rotatable Bonds
BIMP013176	(3S,3aS,6S,6aS,9aR,9bS)-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,7-dione	264.32	1	1	4	63.6	1
BIMP013177	Isonordoperoxide	266.33	1	1	4	55.76	1
BIMP013178	1-(2,6-Dihydroxyphenyl)-3-(4-methoxyphenyl)propan-1-one	272.29	3.3	2	4	66.76	5
BIMP013179	cis-p-Coumaroylagmatine	276.33	0.4	4	3	113.73	7
BIMP013180	7-Hydroxy-8-(3-hydroxy-2-oxopropyl)-5-methyl-2-(2-oxopropyl)chromen-4-one	304.29	0.2	2	6	104.81	5
BIMP013181	(14S,22S)-3,5,13-trioxa-11-azahexacyclo[9.9.2.02,6.08,21.014,22.015,20]docosa-1(21),2(6),7,15,17,19-hexaen-12-one	307.30	2.5	0	4	48	0
BIMP013182	Evernic acid	332.30	4	3	7	113.29	5
BIMP013183	(1R)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline	313.40	3.2	1	4	39.72	5
BIMP013184	(E)-5-((3,7-Dimethylocta-2,6-dien-1-yl)oxy)-7-hydroxy-2H-chromen-2-one	314.40	4.9	1	4	59.67	6
BIMP013185	5-methyl-2-propan-2-ylidene-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuran-3-one	316.30	0	4	8	125.68	3
BIMP013186	(3aS,6R,7aR)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,6,7,7a-tetrahydro-3H-1-benzofuran-2-one	316.30	-1.5	4	8	125.68	3
BIMP013187	(2R,3R,4S,5S,6R)-2-(3,7-dimethyloct-6-enoxy)-6-(hydroxymethyl)oxane-3,4,5-triol	318.41	1.6	4	6	99.38	8
BIMP013188	(4aS,4bR,7S,10aS)-7-ethenyl-1,1-bis(hydroxymethyl)-4a,7-dimethyl-2,4,4b,5,6,9,10,10a-octahydrophenanthren-3-one	318.40	2.6	2	3	57.53	3
BIMP013189	[(2S,4R,5R,6S,7R)-7-hydroxy-6,10-dimethyl-8-oxo-2-prop-1-en-2-ylspiro[4.5]dec-9-en-4-yl] 2-methylpropanoate	320.40	3.5	1	4	63.6	4
BIMP013190	[(3aS,4R,5R,6S,6aR,9aR,9bR)-5,6-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate	322.40	0.4	2	6	93.06	2
BIMP013191	6-[2-[(1R,2S,6S)-1,2,6-trimethyl-3-oxocyclohexyl]ethyl]naphthalene-1,4-dione	324.40	4.1	0	3	51.21	3
BIMP013192	Ulofabczpkmtrn-cmdggobgsa-	325.40	3.2	3	4	82.55	4
BIMP013193	5-Hydroxy-6,7,4'-trimethoxyisoflavone	328.30	3.3	1	6	78.13	4
BIMP013194	Cyclohexene, 4-ethoxy-1-methyl-4-(1-methylethyl)-	182.30	3.1	0	1	9.23	3
BIMP013195	(4S,5S)-5-[(4aS,8aR)-5,5,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-2-yl]-4-hydroxy-4-propan-2-yloxolan-2-one	334.40	3.7	1	4	63.6	2
BIMP013196	Clinacoside C	339.36	-3.4	5	9	164.76	7
BIMP013197	(12S)-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14(19),15,17-hexaen-18-ol	341.40	2.4	2	6	69.18	2
BIMP013198	isocudraniaxanthone B	342.30	4.4	3	6	100.13	3
BIMP013199	Piperogalone	342.50	5.4	1	3	54.37	7
BIMP013200	Batilol, (R)-	344.60	7.6	2	3	49.69	20

BIMP013176

(3S,3aS,6S,6aS,9aR,9bS)-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,7-dione

264.32

1

4

63.6

1

BIMP013177

Isonordoperoxide

266.33

1

4

55.76

1

BIMP013178

1-(2,6-Dihydroxyphenyl)-3-(4-methoxyphenyl)propan-1-one

272.29

3.3

2

4

66.76

5

BIMP013179

cis-p-Coumaroylagmatine

276.33

0.4

4

3

113.73

7

BIMP013180

7-Hydroxy-8-(3-hydroxy-2-oxopropyl)-5-methyl-2-(2-oxopropyl)chromen-4-one

304.29

0.2

2

6

104.81

5

BIMP013181

(14S,22S)-3,5,13-trioxa-11-azahexacyclo[9.9.2.02,6.08,21.014,22.015,20]docosa-1(21),2(6),7,15,17,19-hexaen-12-one

307.30

2.5

0

4

48

0

BIMP013182

Evernic acid

332.30

4

3

7

113.29

5

BIMP013183

(1R)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

313.40

3.2

1

4

39.72

5

BIMP013184

(E)-5-((3,7-Dimethylocta-2,6-dien-1-yl)oxy)-7-hydroxy-2H-chromen-2-one

314.40

4.9

1

4

59.67

6

BIMP013185

5-methyl-2-propan-2-ylidene-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuran-3-one

316.30

0

4

8

125.68

3

BIMP013186

(3aS,6R,7aR)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,6,7,7a-tetrahydro-3H-1-benzofuran-2-one

316.30

-1.5

4

8

125.68

3

BIMP013187

(2R,3R,4S,5S,6R)-2-(3,7-dimethyloct-6-enoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

318.41

1.6

4

6

99.38

8

BIMP013188

(4aS,4bR,7S,10aS)-7-ethenyl-1,1-bis(hydroxymethyl)-4a,7-dimethyl-2,4,4b,5,6,9,10,10a-octahydrophenanthren-3-one

318.40

2.6

2

3

57.53

3

BIMP013189

[(2S,4R,5R,6S,7R)-7-hydroxy-6,10-dimethyl-8-oxo-2-prop-1-en-2-ylspiro[4.5]dec-9-en-4-yl] 2-methylpropanoate

320.40

3.5

1

4

63.6

4

BIMP013190

[(3aS,4R,5R,6S,6aR,9aR,9bR)-5,6-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate

322.40

0.4

2

6

93.06

2

BIMP013191

6-[2-[(1R,2S,6S)-1,2,6-trimethyl-3-oxocyclohexyl]ethyl]naphthalene-1,4-dione

324.40

4.1

0

3

51.21

3

BIMP013192

Ulofabczpkmtrn-cmdggobgsa-

325.40

3.2

3

4

82.55

4

BIMP013193

5-Hydroxy-6,7,4'-trimethoxyisoflavone

328.30

3.3

1

6

78.13

4

BIMP013194

Cyclohexene, 4-ethoxy-1-methyl-4-(1-methylethyl)-

182.30

3.1

0

1

9.23

3

BIMP013195

(4S,5S)-5-[(4aS,8aR)-5,5,8a-trimethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-2-yl]-4-hydroxy-4-propan-2-yloxolan-2-one

334.40

3.7

1

4

63.6

2

BIMP013196

Clinacoside C

339.36

-3.4

5

9

164.76

7

BIMP013197

(12S)-7,17-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14(19),15,17-hexaen-18-ol

341.40

2.4

2

6

69.18

2

BIMP013198

isocudraniaxanthone B

342.30

4.4

3

6

100.13

3

BIMP013199

Piperogalone

342.50

5.4

1

3

54.37

7

BIMP013200

Batilol, (R)-

344.60

7.6

2

3

49.69

20