Chemical Library : Dataset Browser

BIMP_ID	Name	Mol Weight	LogP	HBD	HBA	TPSA	Rotatable Bonds
BIMP010751	Citronellic acid	170.25	3	1	2	37.3	5
BIMP010752	Demethoxyegonol	296.30	3.7	1	4	51.83	4
BIMP010753	acerogenin E	296.40	3.7	2	3	57.53	0
BIMP010754	[(Z,3S)-1-[(2S,3S,4R)-3-hydroxy-4-methoxy-6-oxooxan-2-yl]hept-1-en-3-yl] acetate	300.35	1.2	1	6	82.06	8
BIMP010755	Hispanone	300.40	4.9	0	2	30.21	3
BIMP010756	Xeniafaraunol A	300.40	3.6	1	2	37.3	2
BIMP010757	11-Hydroxygalantamine	303.35	0.9	2	5	62.16	1
BIMP010758	Cyclooctanone	126.20	1.9	0	1	17.07	0
BIMP010759	1-[(3aR,4R,5R,7aS)-5-[(E)-5-pyridin-2-ylpent-4-enyl]-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]ethanone	309.40	5	0	2	29.96	6
BIMP010760	[(2S,3S)-2-[(Z,3R)-3-acetyloxyhept-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] acetate	310.34	2.2	0	6	78.9	9
BIMP010761	Cuscuta propenamide 1	313.30	2.7	3	4	78.79	6
BIMP010762	(6S)-3-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),2,13,15(19)-tetraen-4-one	313.30	1.7	0	5	48	1
BIMP010763	trans-Dehydrocrotonin	314.40	2.6	0	4	56.51	1
BIMP010764	(2R,3R)-3,4'-Dihydroxy-5,7-dimethoxyflavone	316.30	1.9	2	6	85.22	3
BIMP010765	5-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione	316.30	1.8	1	6	82.06	3
BIMP010766	11-Hydroxysugiol	316.40	5.3	2	3	57.53	1
BIMP010767	Galanthine	317.40	0.6	1	5	51.16	3
BIMP010768	2-ethyl-1,3-dimethyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-5-ium-6-carboxylic acid	321.40	4.1	2	2	56.97	2
BIMP010769	Munsericin	322.40	3.9	2	4	66.76	3
BIMP010770	(8E,13R)-13-hydroxy-4-methoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),8,15,18-heptaen-12-one	324.40	3.6	1	4	55.76	1
BIMP010771	(2R,3R,4S,5S,6R)-2-[(3S,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	325.31	-3.9	8	10	172.1	4
BIMP010772	(2R,3R,4R,5S)-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]piperidine-3,4,5-triol	325.31	-4.5	8	10	172.1	4
BIMP010773	2-(3,4-dimethoxyphenanthren-1-yl)-N,N-dimethylethanamine oxide	325.40	4.1	0	3	41.52	5
BIMP010774	9H-Xanthen-9-one, 1,3,5,6-tetrahydroxy-2-(3-methyl-2-butenyl)-	328.30	4	4	6	111.13	2
BIMP010775	5-hydroxy-2,2-dimethyl-6-(2-methylbut-3-en-2-yl)-3H-pyrano[2,3-h]chromene-4,8-dione	328.40	4.1	1	5	76.74	2

BIMP010751

Citronellic acid

170.25

3

1

2

37.3

5

BIMP010752

Demethoxyegonol

296.30

3.7

1

4

51.83

4

BIMP010753

acerogenin E

296.40

3.7

2

3

57.53

0

BIMP010754

[(Z,3S)-1-[(2S,3S,4R)-3-hydroxy-4-methoxy-6-oxooxan-2-yl]hept-1-en-3-yl] acetate

300.35

1.2

1

6

82.06

8

BIMP010755

Hispanone

300.40

4.9

0

2

30.21

3

BIMP010756

Xeniafaraunol A

300.40

3.6

1

2

37.3

2

BIMP010757

11-Hydroxygalantamine

303.35

0.9

2

5

62.16

1

BIMP010758

Cyclooctanone

126.20

1.9

0

1

17.07

0

BIMP010759

1-[(3aR,4R,5R,7aS)-5-[(E)-5-pyridin-2-ylpent-4-enyl]-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]ethanone

309.40

5

0

2

29.96

6

BIMP010760

[(2S,3S)-2-[(Z,3R)-3-acetyloxyhept-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] acetate

310.34

2.2

0

6

78.9

9

BIMP010761

Cuscuta propenamide 1

313.30

2.7

3

4

78.79

6

BIMP010762

(6S)-3-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),2,13,15(19)-tetraen-4-one

313.30

1.7

0

5

48

1

BIMP010763

trans-Dehydrocrotonin

314.40

2.6

0

4

56.51

1

BIMP010764

(2R,3R)-3,4'-Dihydroxy-5,7-dimethoxyflavone

316.30

1.9

2

6

85.22

3

BIMP010765

5-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione

316.30

1.8

1

6

82.06

3

BIMP010766

11-Hydroxysugiol

316.40

5.3

2

3

57.53

1

BIMP010767

Galanthine

317.40

0.6

1

5

51.16

3

BIMP010768

2-ethyl-1,3-dimethyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-5-ium-6-carboxylic acid

321.40

4.1

2

56.97

2

BIMP010769

Munsericin

322.40

3.9

2

4

66.76

3

BIMP010770

(8E,13R)-13-hydroxy-4-methoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),8,15,18-heptaen-12-one

324.40

3.6

1

4

55.76

1

BIMP010771

(2R,3R,4S,5S,6R)-2-[(3S,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

325.31

-3.9

8

10

172.1

4

BIMP010772

(2R,3R,4R,5S)-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]piperidine-3,4,5-triol

325.31

-4.5

8

10

172.1

4

BIMP010773

2-(3,4-dimethoxyphenanthren-1-yl)-N,N-dimethylethanamine oxide

325.40

4.1

0

3

41.52

5

BIMP010774

9H-Xanthen-9-one, 1,3,5,6-tetrahydroxy-2-(3-methyl-2-butenyl)-

328.30

4

6

111.13

2

BIMP010775

5-hydroxy-2,2-dimethyl-6-(2-methylbut-3-en-2-yl)-3H-pyrano[2,3-h]chromene-4,8-dione

328.40

4.1

1

5

76.74

2