Chemical Library : Dataset Browser

BIMP_ID	Name	Mol Weight	LogP	HBD	HBA	TPSA	Rotatable Bonds
BIMP027476	Goshonoside F5	646.80	0.1	9	13	218.99	11
BIMP027477	(3aS,5aS,9bR)-5a,9-dimethyl-3-methylidene-3a,4,6,7,8,9b-hexahydrobenzo[g][1]benzofuran-2,5-dione	246.30	1.4	0	3	43.37	0
BIMP027478	(3aS,5S,5aS,9bR)-5-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one	248.32	1.7	1	3	46.53	0
BIMP027479	[(3aS,5S,5aS,9bR)-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-5-yl] acetate	290.40	2.3	0	4	52.6	2
BIMP027480	2-[(2S,4aS)-4a,8-dimethyl-4-oxo-1,2,3,5,6,7-hexahydronaphthalen-2-yl]prop-2-enoic acid	248.32	1.8	1	3	54.37	2
BIMP027481	2-[(2S,4S,4aS)-4-acetyloxy-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid	292.40	2.6	1	4	63.6	4
BIMP027482	(2E,5E)-1,7-dihydroxy-3,7-dimethylocta-2,5-dien-4-one	184.23	0.1	2	3	57.53	4
BIMP027483	1-Acetoxy-7-hydroxy-3,7-dimethyl-2E,5E-octadien-4-one	226.27	0.6	1	4	63.6	6
BIMP027484	(2E,5E)-7-hydroperoxy-1-hydroxy-3,7-dimethylocta-2,5-dien-4-one	200.23	0.1	2	4	66.76	5
BIMP027485	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one	242.27	0.7	1	5	72.83	7
BIMP027486	(E)-4-hydroxy-2-methylbut-2-enoic acid	116.11	-0.3	2	3	57.53	2
BIMP027487	20-Deoxocarnosol	316.40	4.6	2	3	49.69	1
BIMP027488	(1R,3R,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octane-3,6-diol	157.21	-0.2	2	3	43.7	0
BIMP027489	CID 13855920	368.40	1.8	2	7	102.29	3
BIMP027490	[17-acetyloxy-17-(2-hydroxy-5-oxo-2H-furan-3-yl)-4,4,8,10,13-pentamethyl-3,16-dioxo-5,6,7,9,11,12-hexahydrocyclopenta[a]phenanthren-7-yl] acetate	540.60	2.7	1	9	133.27	5
BIMP027491	2-(7-acetyloxy-4,4,8,10,13-pentamethyl-3,16-dioxo-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-17-yl)acetic acid	442.50	3.6	1	6	97.74	4
BIMP027492	(3R)-Linalyl diphosphate	314.21	0.5	3	7	132.91	8
BIMP027493	Lappaphen A	478.60	5.5	1	6	120.08	5
BIMP027494	Lappaphen-a	478.60	5.5	1	6	120.08	5
BIMP027495	Lappaphen-b	478.60	5.5	1	6	120.08	5
BIMP027496	(8R,8aR)-3,8-dimethyl-5-propan-2-yl-1,2,6,7,8,8a-hexahydroazulene	204.35	4	0	0	0	1
BIMP027497	(5R,8R)-2,5-dimethyl-8-prop-1-en-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine	215.33	4.5	0	1	12.89	1
BIMP027498	4,5,15,16-Tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),11,13,15-octaene	351.40	4.6	0	5	40.16	4
BIMP027499	10-Acetoxyneryl acetate	254.32	2.8	0	4	52.6	9
BIMP027500	6-Desoxysolidagolacton-IV-18,19-olid	330.40	3.8	0	4	52.6	3

BIMP027476

Goshonoside F5

646.80

0.1

9

13

218.99

11

BIMP027477

(3aS,5aS,9bR)-5a,9-dimethyl-3-methylidene-3a,4,6,7,8,9b-hexahydrobenzo[g][1]benzofuran-2,5-dione

246.30

1.4

0

3

43.37

0

BIMP027478

(3aS,5S,5aS,9bR)-5-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one

248.32

1.7

1

3

46.53

0

BIMP027479

[(3aS,5S,5aS,9bR)-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-5-yl] acetate

290.40

2.3

0

4

52.6

2

BIMP027480

2-[(2S,4aS)-4a,8-dimethyl-4-oxo-1,2,3,5,6,7-hexahydronaphthalen-2-yl]prop-2-enoic acid

248.32

1.8

1

3

54.37

2

BIMP027481

2-[(2S,4S,4aS)-4-acetyloxy-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid

292.40

2.6

1

4

63.6

4

BIMP027482

(2E,5E)-1,7-dihydroxy-3,7-dimethylocta-2,5-dien-4-one

184.23

0.1

2

3

57.53

4

BIMP027483

1-Acetoxy-7-hydroxy-3,7-dimethyl-2E,5E-octadien-4-one

226.27

0.6

1

4

63.6

6

BIMP027484

(2E,5E)-7-hydroperoxy-1-hydroxy-3,7-dimethylocta-2,5-dien-4-one

200.23

0.1

2

4

66.76

5

BIMP027485

1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one

242.27

0.7

1

5

72.83

7

BIMP027486

(E)-4-hydroxy-2-methylbut-2-enoic acid

116.11

-0.3

2

3

57.53

2

BIMP027487

20-Deoxocarnosol

316.40

4.6

2

3

49.69

1

BIMP027488

(1R,3R,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octane-3,6-diol

157.21

-0.2

2

3

43.7

0

BIMP027489

CID 13855920

368.40

1.8

2

7

102.29

3

BIMP027490

[17-acetyloxy-17-(2-hydroxy-5-oxo-2H-furan-3-yl)-4,4,8,10,13-pentamethyl-3,16-dioxo-5,6,7,9,11,12-hexahydrocyclopenta[a]phenanthren-7-yl] acetate

540.60

2.7

1

9

133.27

5

BIMP027491

2-(7-acetyloxy-4,4,8,10,13-pentamethyl-3,16-dioxo-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-17-yl)acetic acid

442.50

3.6

1

6

97.74

4

BIMP027492

(3R)-Linalyl diphosphate

314.21

0.5

3

7

132.91

8

BIMP027493

Lappaphen A

478.60

5.5

1

6

120.08

5

BIMP027494

Lappaphen-a

478.60

5.5

1

6

120.08

5

BIMP027495

Lappaphen-b

478.60

5.5

1

6

120.08

5

BIMP027496

(8R,8aR)-3,8-dimethyl-5-propan-2-yl-1,2,6,7,8,8a-hexahydroazulene

204.35

4

0

1

BIMP027497

(5R,8R)-2,5-dimethyl-8-prop-1-en-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

215.33

4.5

0

1

12.89

1

BIMP027498

4,5,15,16-Tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),11,13,15-octaene

351.40

4.6

0

5

40.16

4

BIMP027499

10-Acetoxyneryl acetate

254.32

2.8

0

4

52.6

9

BIMP027500

6-Desoxysolidagolacton-IV-18,19-olid

330.40

3.8

0

4

52.6

3