Chemical Library : Dataset Browser

BIMP_ID	Name	Mol Weight	LogP	HBD	HBA	TPSA	Rotatable Bonds
BIMP017501	(1S,4S,5R,9S,10S,13R)-14-formyl-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid	316.40	4.7	1	3	54.37	2
BIMP017502	Rosenonolactone	316.40	3.8	0	3	43.37	1
BIMP017503	Zerumin A	318.40	4.5	1	3	54.37	5
BIMP017504	Agrostistachin	318.40	3.1	2	3	57.53	0
BIMP017505	2-(2,2,3-Trimethylcyclopent-3-en-1-yl)acetic acid	168.23	1.9	1	2	37.3	2
BIMP017506	16-Methoxy-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-2,4(8),9,11,13,15,18-heptaen-17-one	321.30	1.3	0	5	48	1
BIMP017507	(1R,3R,4R,4aS,8aS)-4-[(3R)-3-hydroxy-3-methylpent-4-enyl]-3,4a,8,8-tetramethyl-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,3-diol	324.50	4	3	3	60.69	4
BIMP017508	(E,5S)-1,7-bis(4-hydroxyphenyl)-5-methoxyhept-1-en-3-one	326.40	3.5	2	4	66.76	8
BIMP017509	Raumacline	326.40	2.4	2	3	46.42	1
BIMP017510	Iriflogenin	328.27	2.8	2	7	98.36	2
BIMP017511	Guaiacin	328.40	4.5	2	4	58.92	3
BIMP017512	Cryptojaponol	330.50	5.6	1	3	46.53	2
BIMP017513	6-Methoxy-8,9,10,11-tetrahydropentathiepino[6,7-f]isoquinolin-7-ol	337.50	2.4	2	8	167.99	1
BIMP017514	glycocitrine I	339.40	4.9	2	5	71.69	3
BIMP017515	(3R)-3-(2-hydroxy-4-methoxyphenyl)-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-7-ol	340.40	4.9	2	4	58.92	4
BIMP017516	o-Methylflavinantine	341.40	2.3	0	5	48	3
BIMP017517	Gal(a1-6)a-Man	342.30	-4.7	8	11	189.53	4
BIMP017518	Iriskashmirianin	342.30	2.6	1	7	87.36	3
BIMP017519	10'(Z),13'(E),15'(E)-Heptadecatrienylhydroquinone	342.50	8.2	2	2	40.46	13
BIMP017520	(7S,8aS)-5-[[(4S,8S,9aS)-6,8-dimethyl-1,2,3,4,7,8,9,9a-octahydroquinolizin-5-ium-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline	343.60	3.2	0	1	6.25	2
BIMP017521	Meso-monomethyldihydroguaiaretic acid	344.40	5.3	1	4	47.92	8
BIMP017522	Candelabrone	346.40	3.6	3	5	94.83	1
BIMP017523	[(3S,4R,4aS,4bS,7R,10aS)-7-ethenyl-4-hydroxy-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-3-yl] acetate	346.50	5.1	1	3	46.53	3
BIMP017524	Serotobenine	350.40	2.2	3	4	83.58	2
BIMP017525	Flavanone base + 4O, 1Prenyl	356.40	4	4	6	107.22	3

BIMP017501

(1S,4S,5R,9S,10S,13R)-14-formyl-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid

316.40

4.7

1

3

54.37

2

BIMP017502

Rosenonolactone

316.40

3.8

0

3

43.37

1

BIMP017503

Zerumin A

318.40

4.5

1

3

54.37

5

BIMP017504

Agrostistachin

318.40

3.1

2

3

57.53

0

BIMP017505

2-(2,2,3-Trimethylcyclopent-3-en-1-yl)acetic acid

168.23

1.9

1

2

37.3

2

BIMP017506

16-Methoxy-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-2,4(8),9,11,13,15,18-heptaen-17-one

321.30

1.3

0

5

48

1

BIMP017507

(1R,3R,4R,4aS,8aS)-4-[(3R)-3-hydroxy-3-methylpent-4-enyl]-3,4a,8,8-tetramethyl-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,3-diol

324.50

4

3

60.69

4

BIMP017508

(E,5S)-1,7-bis(4-hydroxyphenyl)-5-methoxyhept-1-en-3-one

326.40

3.5

2

4

66.76

8

BIMP017509

Raumacline

326.40

2.4

2

3

46.42

1

BIMP017510

Iriflogenin

328.27

2.8

2

7

98.36

2

BIMP017511

Guaiacin

328.40

4.5

2

4

58.92

3

BIMP017512

Cryptojaponol

330.50

5.6

1

3

46.53

2

BIMP017513

6-Methoxy-8,9,10,11-tetrahydropentathiepino[6,7-f]isoquinolin-7-ol

337.50

2.4

2

8

167.99

1

BIMP017514

glycocitrine I

339.40

4.9

2

5

71.69

3

BIMP017515

(3R)-3-(2-hydroxy-4-methoxyphenyl)-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-7-ol

340.40

4.9

2

4

58.92

4

BIMP017516

o-Methylflavinantine

341.40

2.3

0

5

48

3

BIMP017517

Gal(a1-6)a-Man

342.30

-4.7

8

11

189.53

4

BIMP017518

Iriskashmirianin

342.30

2.6

1

7

87.36

3

BIMP017519

10'(Z),13'(E),15'(E)-Heptadecatrienylhydroquinone

342.50

8.2

2

40.46

13

BIMP017520

(7S,8aS)-5-[[(4S,8S,9aS)-6,8-dimethyl-1,2,3,4,7,8,9,9a-octahydroquinolizin-5-ium-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline

343.60

3.2

0

1

6.25

2

BIMP017521

Meso-monomethyldihydroguaiaretic acid

344.40

5.3

1

4

47.92

8

BIMP017522

Candelabrone

346.40

3.6

3

5

94.83

1

BIMP017523

[(3S,4R,4aS,4bS,7R,10aS)-7-ethenyl-4-hydroxy-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-3-yl] acetate

346.50

5.1

1

3

46.53

3

BIMP017524

Serotobenine

350.40

2.2

3

4

83.58

2

BIMP017525

Flavanone base + 4O, 1Prenyl

356.40

4

6

107.22

3