Chemical Library : Dataset Browser

BIMP_ID	Name	Mol Weight	LogP	HBD	HBA	TPSA	Rotatable Bonds
BIMP016051	Germanaism C	684.60	-1.4	9	18	276.89	10
BIMP016052	Isobenzofuran	118.13	2.2	0	1	13.14	0
BIMP016053	5-Deoxy-L-arabonic acid 1,4-lactone	132.11	-0.9	2	4	66.76	0
BIMP016054	(2S)-2,6-diamino(413C)hexanoic acid	147.18	-3	3	4	89.34	5
BIMP016055	(111C)methyl 2-hydroxybenzoate	151.15	2.3	1	3	46.53	2
BIMP016056	4-Methoxyindoline-2,3-dione	177.16	0.7	1	3	55.4	1
BIMP016057	Liqcoumarin	218.20	1.7	1	4	67.51	1
BIMP016058	(1R,4aS,6R,8aR)-8a-methyl-4-methylidene-6-propan-2-yl-2,3,4a,5,7,8-hexahydro-1H-naphthalene-1,6-diol	238.37	2.5	2	2	40.46	1
BIMP016059	(1S,2S,3S,4R)-3-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,3-dimethylbicyclo[2.2.1]heptan-2-ol	238.37	3	2	2	40.46	4
BIMP016060	(Z)-1beta-hydroxy-2-hydrolanceol	238.37	3.1	2	2	40.46	5
BIMP016061	(2R,3S,4S,5R,6R)-2-methyl-6-phenoxyoxane-3,4,5-triol	240.25	-0.4	3	5	79.15	2
BIMP016062	(3S,3aR,7S,8aS)-3,7-dimethyl-6-[(E)-3-oxobut-1-enyl]-3,3a,4,7,8,8a-hexahydrocyclohepta[b]furan-2-one	248.32	2.2	0	3	43.37	2
BIMP016063	8-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]octanoic acid	257.37	0.1	3	4	69.56	8
BIMP016064	CID 11379937	260.28	-0.3	1	6	66.38	0
BIMP016065	(1R,2S,4S,5S)-2-methoxy-5-[(1R)-1-phenylprop-2-enyl]cyclohexane-1,4-diol	262.34	2.2	2	3	49.69	4
BIMP016066	(1R,4aR,6R,8aS)-1,4a-dihydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one	268.35	0.3	3	4	77.76	1
BIMP016067	9-OxoOTrE	292.40	4.6	1	3	54.37	13
BIMP016068	Cinnamyl caffeate	296.30	3.6	2	4	66.76	6
BIMP016069	Arachidin-3	296.40	4.9	3	3	60.69	4
BIMP016070	3-(4-hydroxy-2,5-dimethoxyphenyl)-2H-chromen-7-ol	300.30	2.7	2	5	68.15	3
BIMP016071	Cyclopropaneoctanoic acid, 2-octyl-, methyl ester, (1R,2S)-	310.50	8.3	0	2	26.3	16
BIMP016072	Iso-6-spectaline	325.50	5.2	2	3	49.33	13
BIMP016073	Caffeic acid 4-O-glucoside	342.30	-1.4	6	9	156.91	5
BIMP016074	Macrocalin A	346.40	2.8	1	5	72.83	0
BIMP016075	rel-4-[(1R,2S)-2-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3-methoxybenzaldehyde	348.30	1.2	3	7	105.45	8

BIMP016051

Germanaism C

684.60

-1.4

9

18

276.89

10

BIMP016052

Isobenzofuran

118.13

2.2

0

1

13.14

0

BIMP016053

5-Deoxy-L-arabonic acid 1,4-lactone

132.11

-0.9

2

4

66.76

0

BIMP016054

(2S)-2,6-diamino(413C)hexanoic acid

147.18

-3

3

4

89.34

5

BIMP016055

(111C)methyl 2-hydroxybenzoate

151.15

2.3

1

3

46.53

2

BIMP016056

4-Methoxyindoline-2,3-dione

177.16

0.7

1

3

55.4

1

BIMP016057

Liqcoumarin

218.20

1.7

1

4

67.51

1

BIMP016058

(1R,4aS,6R,8aR)-8a-methyl-4-methylidene-6-propan-2-yl-2,3,4a,5,7,8-hexahydro-1H-naphthalene-1,6-diol

238.37

2.5

2

40.46

1

BIMP016059

(1S,2S,3S,4R)-3-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,3-dimethylbicyclo[2.2.1]heptan-2-ol

238.37

3

2

40.46

4

BIMP016060

(Z)-1beta-hydroxy-2-hydrolanceol

238.37

3.1

2

40.46

5

BIMP016061

(2R,3S,4S,5R,6R)-2-methyl-6-phenoxyoxane-3,4,5-triol

240.25

-0.4

3

5

79.15

2

BIMP016062

(3S,3aR,7S,8aS)-3,7-dimethyl-6-[(E)-3-oxobut-1-enyl]-3,3a,4,7,8,8a-hexahydrocyclohepta[b]furan-2-one

248.32

2.2

0

3

43.37

2

BIMP016063

8-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]octanoic acid

257.37

0.1

3

4

69.56

8

BIMP016064

CID 11379937

260.28

-0.3

1

6

66.38

0

BIMP016065

(1R,2S,4S,5S)-2-methoxy-5-[(1R)-1-phenylprop-2-enyl]cyclohexane-1,4-diol

262.34

2.2

2

3

49.69

4

BIMP016066

(1R,4aR,6R,8aS)-1,4a-dihydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one

268.35

0.3

3

4

77.76

1

BIMP016067

9-OxoOTrE

292.40

4.6

1

3

54.37

13

BIMP016068

Cinnamyl caffeate

296.30

3.6

2

4

66.76

6

BIMP016069

Arachidin-3

296.40

4.9

3

60.69

4

BIMP016070

3-(4-hydroxy-2,5-dimethoxyphenyl)-2H-chromen-7-ol

300.30

2.7

2

5

68.15

3

BIMP016071

Cyclopropaneoctanoic acid, 2-octyl-, methyl ester, (1R,2S)-

310.50

8.3

0

2

26.3

16

BIMP016072

Iso-6-spectaline

325.50

5.2

2

3

49.33

13

BIMP016073

Caffeic acid 4-O-glucoside

342.30

-1.4

6

9

156.91

5

BIMP016074

Macrocalin A

346.40

2.8

1

5

72.83

0

BIMP016075

rel-4-[(1R,2S)-2-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3-methoxybenzaldehyde

348.30

1.2

3

7

105.45

8