Chemical Library : Dataset Browser

BIMP_ID	Name	Mol Weight	LogP	HBD	HBA	TPSA	Rotatable Bonds
BIMP015176	2-[(1R,2S)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid	212.28	1.9	2	3	57.53	5
BIMP015177	Octadecamethylcyclononasiloxane	667.40		0	9	83.07	0
BIMP015178	Megatomoic Acid	224.34	5.1	1	2	37.3	10
BIMP015179	2-(3,5-Dimethoxyphenyl)phenol	230.26	3	1	3	38.69	3
BIMP015180	(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyl-2-(4-oxopentyl)cyclohexan-1-one	254.36	1.3	1	3	54.37	5
BIMP015181	3-Methyl-2-buten-1-OL	86.13	1	1	1	20.23	1
BIMP015182	(2E,4E,8Z)-1-piperidin-1-yltetradeca-2,4,8-trien-1-one	289.50	5.3	0	1	20.31	9
BIMP015183	Scutellarein 4'-methyl ether	300.26	1.7	3	6	100.13	2
BIMP015184	2-Dodecanone, 12-(1,3-benzodioxol-5-yl)-	304.40	6	0	3	35.53	11
BIMP015185	(2S)-2-amino-5-[[(1R)-1-carboxy-2-[(E)-prop-1-enyl]sulfinylethyl]amino]-5-oxopentanoic acid	306.34	-4.2	4	8	166	9
BIMP015186	(1S,2R,3S,6R,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-one	307.40	2.5	0	5	55.84	1
BIMP015187	(3R,4S,5S)-4-hydroxy-5-methyl-3-tetradecyloxolan-2-one	312.50	7.1	1	3	46.53	13
BIMP015188	Tetrodotoxin	319.27	-5.9	8	9	190.25	1
BIMP015189	(8S,11bS)-7,11-dihydroxy-3,4,8,11b-tetramethyl-1,2,8,9-tetrahydronaphtho[2,1-f][1]benzofuran-6-one	326.40	3.5	2	4	66.76	0
BIMP015190	(-)-Galbacin	340.40	4.1	0	5	46.15	2
BIMP015191	4-[(1R,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxybenzaldehyde	348.30	1.2	3	7	105.45	8
BIMP015192	trans-Isohumulone	362.50	3.8	2	5	91.67	8
BIMP015193	Propyl isovalerate	144.21	2.3	0	2	26.3	5
BIMP015194	(1R,2R,4S,5R,9S,10S,12S,13R)-12-acetyloxy-2-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid	376.50	3.1	2	5	83.83	3
BIMP015195	(3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one	386.40	3.4	1	7	83.45	6
BIMP015196	[(1R,2R,4S,6S,9S,10S,11S,13S)-2,11-dihydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate	390.50	1.6	2	6	100.9	2
BIMP015197	[(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-hydroxyphenoxy)tetrahydropyran-2-yl]methyl 4-hydroxybenzoate	392.40	0.6	5	9	145.91	6
BIMP015198	4,2',4'-Trihydroxy-3',5'-diprenylchalcone	392.50	7	3	4	77.76	7
BIMP015199	4-[(E)-3-[(2R,3R,5R)-5-[hydroxy-(4-hydroxyphenyl)methyl]-2-(4-hydroxyphenyl)oxan-3-yl]prop-1-enyl]phenol	432.50	4.6	4	5	90.15	6
BIMP015200	Leucosesterterpenone	448.50	1.4	4	7	124.29	4

BIMP015176

2-[(1R,2S)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid

212.28

1.9

2

3

57.53

5

BIMP015177

Octadecamethylcyclononasiloxane

667.40

0

9

83.07

0

BIMP015178

Megatomoic Acid

224.34

5.1

1

2

37.3

10

BIMP015179

2-(3,5-Dimethoxyphenyl)phenol

230.26

3

1

3

38.69

3

BIMP015180

(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyl-2-(4-oxopentyl)cyclohexan-1-one

254.36

1.3

1

3

54.37

5

BIMP015181

3-Methyl-2-buten-1-OL

86.13

1

20.23

1

BIMP015182

(2E,4E,8Z)-1-piperidin-1-yltetradeca-2,4,8-trien-1-one

289.50

5.3

0

1

20.31

9

BIMP015183

Scutellarein 4'-methyl ether

300.26

1.7

3

6

100.13

2

BIMP015184

2-Dodecanone, 12-(1,3-benzodioxol-5-yl)-

304.40

6

0

3

35.53

11

BIMP015185

(2S)-2-amino-5-[[(1R)-1-carboxy-2-[(E)-prop-1-enyl]sulfinylethyl]amino]-5-oxopentanoic acid

306.34

-4.2

4

8

166

9

BIMP015186

(1S,2R,3S,6R,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-one

307.40

2.5

0

5

55.84

1

BIMP015187

(3R,4S,5S)-4-hydroxy-5-methyl-3-tetradecyloxolan-2-one

312.50

7.1

1

3

46.53

13

BIMP015188

Tetrodotoxin

319.27

-5.9

8

9

190.25

1

BIMP015189

(8S,11bS)-7,11-dihydroxy-3,4,8,11b-tetramethyl-1,2,8,9-tetrahydronaphtho[2,1-f][1]benzofuran-6-one

326.40

3.5

2

4

66.76

0

BIMP015190

(-)-Galbacin

340.40

4.1

0

5

46.15

2

BIMP015191

4-[(1R,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxybenzaldehyde

348.30

1.2

3

7

105.45

8

BIMP015192

trans-Isohumulone

362.50

3.8

2

5

91.67

8

BIMP015193

Propyl isovalerate

144.21

2.3

0

2

26.3

5

BIMP015194

(1R,2R,4S,5R,9S,10S,12S,13R)-12-acetyloxy-2-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

376.50

3.1

2

5

83.83

3

BIMP015195

(3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-2-one

386.40

3.4

1

7

83.45

6

BIMP015196

[(1R,2R,4S,6S,9S,10S,11S,13S)-2,11-dihydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

390.50

1.6

2

6

100.9

2

BIMP015197

[(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-hydroxyphenoxy)tetrahydropyran-2-yl]methyl 4-hydroxybenzoate

392.40

0.6

5

9

145.91

6

BIMP015198

4,2',4'-Trihydroxy-3',5'-diprenylchalcone

392.50

7

3

4

77.76

7

BIMP015199

4-[(E)-3-[(2R,3R,5R)-5-[hydroxy-(4-hydroxyphenyl)methyl]-2-(4-hydroxyphenyl)oxan-3-yl]prop-1-enyl]phenol

432.50

4.6

4

5

90.15

6

BIMP015200

Leucosesterterpenone

448.50

1.4

4

7

124.29

4