Chemical Library : Dataset Browser

BIMP_ID	Name	Mol Weight	LogP	HBD	HBA	TPSA	Rotatable Bonds
BIMP016151	1-methyl-3-[(1R)-1,2,2-trimethylcyclopentyl]benzene	202.33	5.5	0	0	0	1
BIMP016152	(+)-Thujopsene	204.35	4.8	0	0	0	0
BIMP016153	Isoacorone	236.35	2.9	0	2	34.14	1
BIMP016154	(1aR,4aR,7S,7aR,7bR)-7-(hydroxymethyl)-1,1-dimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol	236.35	2.1	2	2	40.46	1
BIMP016155	Nigellicine	246.26	1.4	1	5	64.23	1
BIMP016156	Grandisine B	258.36	1.5	0	3	32.67	1
BIMP016157	(3R,6R,7E,9E,11E)-3-hydroxy-13-apo-alpha-caroten-13-one	274.40	3.6	1	2	37.3	4
BIMP016158	N-methylcarbamic acid [(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] ester	275.35	0.7	1	4	44.81	2
BIMP016159	(1R,3S)-5-hydroxy-7-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-6,9-dione	288.29	2.3	1	5	72.83	1
BIMP016160	(-)-Aegeline	297.30	2.4	2	3	58.56	6
BIMP016161	n-Pentyl beta-carboline-1-propionate	310.40	4.2	1	3	54.98	8
BIMP016162	(1R,2S,4bR,7S,8aS)-2-ethenyl-1,7-dihydroxy-2,4b,8,8-tetramethyl-1,3,5,6,7,8a,9,10-octahydrophenanthren-4-one	318.40	2.9	2	3	57.53	1
BIMP016163	Methyl (1S,12S,13R,14R,15E)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate	322.40	2.4	1	3	45.33	2
BIMP016164	(1R,12S,13R,14R,15E)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraene-1,7-diol	326.40	1	4	4	79.72	1
BIMP016165	(5R,6R,7R)-5-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol	328.40	4.5	2	4	58.92	3
BIMP016166	Suregadolide D	348.40	1.4	3	5	86.99	0
BIMP016167	[(1S,3R,4aR,5R,7S,7aS)-7-hydroxy-1,3-dimethoxy-7-methyl-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5-yl] 4-hydroxybenzoate	352.40	1.7	2	7	94.45	5
BIMP016168	3-(2-Hydroxy-4-methoxyphenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one	352.40	3.6	1	5	64.99	2
BIMP016169	[3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)undecan-5-yl] acetate	352.50	4.7	2	5	75.99	13
BIMP016170	3-[(3S)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-3H-2-benzofuran-1-one	368.40	0.3	4	8	125.68	6
BIMP016171	Allyl benzoate	162.18	2.4	0	2	26.3	4
BIMP016172	5-O-methylthujaplicatin	388.40	3.2	2	7	94.45	7
BIMP016173	2-Hydroxypentacosanoic acid	398.70	11.3	2	3	57.53	23
BIMP016174	10S,13aR-isotylocrebrine N-oxide	409.50	4.2	0	5	59.98	4
BIMP016175	(10S,13aS)-3,4,6,7-tetramethoxy-10-oxido-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-10-ium	409.50	4.2	0	5	59.98	4

BIMP016151

1-methyl-3-[(1R)-1,2,2-trimethylcyclopentyl]benzene

202.33

5.5

0

1

BIMP016152

(+)-Thujopsene

204.35

4.8

0

BIMP016153

Isoacorone

236.35

2.9

0

2

34.14

1

BIMP016154

(1aR,4aR,7S,7aR,7bR)-7-(hydroxymethyl)-1,1-dimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol

236.35

2.1

2

40.46

1

BIMP016155

Nigellicine

246.26

1.4

1

5

64.23

1

BIMP016156

Grandisine B

258.36

1.5

0

3

32.67

1

BIMP016157

(3R,6R,7E,9E,11E)-3-hydroxy-13-apo-alpha-caroten-13-one

274.40

3.6

1

2

37.3

4

BIMP016158

N-methylcarbamic acid [(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] ester

275.35

0.7

1

4

44.81

2

BIMP016159

(1R,3S)-5-hydroxy-7-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-6,9-dione

288.29

2.3

1

5

72.83

1

BIMP016160

(-)-Aegeline

297.30

2.4

2

3

58.56

6

BIMP016161

n-Pentyl beta-carboline-1-propionate

310.40

4.2

1

3

54.98

8

BIMP016162

(1R,2S,4bR,7S,8aS)-2-ethenyl-1,7-dihydroxy-2,4b,8,8-tetramethyl-1,3,5,6,7,8a,9,10-octahydrophenanthren-4-one

318.40

2.9

2

3

57.53

1

BIMP016163

Methyl (1S,12S,13R,14R,15E)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate

322.40

2.4

1

3

45.33

2

BIMP016164

(1R,12S,13R,14R,15E)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraene-1,7-diol

326.40

1

4

79.72

1

BIMP016165

(5R,6R,7R)-5-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol

328.40

4.5

2

4

58.92

3

BIMP016166

Suregadolide D

348.40

1.4

3

5

86.99

0

BIMP016167

[(1S,3R,4aR,5R,7S,7aS)-7-hydroxy-1,3-dimethoxy-7-methyl-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5-yl] 4-hydroxybenzoate

352.40

1.7

2

7

94.45

5

BIMP016168

3-(2-Hydroxy-4-methoxyphenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one

352.40

3.6

1

5

64.99

2

BIMP016169

[3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)undecan-5-yl] acetate

352.50

4.7

2

5

75.99

13

BIMP016170

3-[(3S)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-3H-2-benzofuran-1-one

368.40

0.3

4

8

125.68

6

BIMP016171

Allyl benzoate

162.18

2.4

0

2

26.3

4

BIMP016172

5-O-methylthujaplicatin

388.40

3.2

2

7

94.45

7

BIMP016173

2-Hydroxypentacosanoic acid

398.70

11.3

2

3

57.53

23

BIMP016174

10S,13aR-isotylocrebrine N-oxide

409.50

4.2

0

5

59.98

4

BIMP016175

(10S,13aS)-3,4,6,7-tetramethoxy-10-oxido-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-10-ium

409.50

4.2

0

5

59.98

4