Chemical Library : Dataset Browser

BIMP_ID	Name	Mol Weight	LogP	HBD	HBA	TPSA	Rotatable Bonds
BIMP012901	beta-Anhydroepidigitoxigenin	356.50	4	1	3	46.53	1
BIMP012902	Geniposide	388.40	-2.3	5	10	155.14	6
BIMP012903	(4aR,6S,10aR,11R,11aS,11bR)-6,10a,11-trihydroxy-8-(hydroxymethyl)-4,4,11b-trimethyl-1,2,3,4a,5,6,11,11a-octahydronaphtho[2,1-f][1]benzofuran-9-one	364.40	1	4	6	107.22	1
BIMP012904	[(4S,4aR,5R,6S,8aS,9R,9aS)-6,9-dihydroxy-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate	364.40	1.8	2	6	93.06	3
BIMP012905	2-Hydroxycyclohexan-1-one	114.14	0.2	1	2	37.3	0
BIMP012906	[(1R,4aR,5R,8aS)-4a-formyl-1-methyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl acetate	374.50	3.2	0	5	69.67	7
BIMP012907	[(3S,5R,8R,9R,10R,13S,14R,17S)-17-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate	376.60	6	1	3	46.53	2
BIMP012908	n-(Hexahydro-1h-1,6-epoxypyrrolizin-7-yl)-n-methylformamide	182.22	-0.4	0	3	32.78	1
BIMP012909	Annoglabasin F	378.50	3.9	1	5	72.83	4
BIMP012910	Thyminose	134.13	-2.3	3	4	77.76	4
BIMP012911	(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3-methylbut-2-enoxy)oxane-3,4,5-triol	380.39	-2.3	6	10	158.3	7
BIMP012912	(1S,2R,4R)-2-bromo-1-methyl-4-[3-[(1R,2R,3S,6S)-6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl]prop-1-en-2-yl]cyclohexan-1-ol	383.40	5.1	1	2	32.76	4
BIMP012913	1,2,4-Benzenetriol	126.11	1.5	3	3	60.69	0
BIMP012914	Isoyatein	400.40	3.8	0	7	72.45	7
BIMP012915	Xyl(b1-6)Glc(b)-O-Ph(2-OH)	404.40	-2.7	7	11	178.53	5
BIMP012916	Procyanidin	594.50	2	10	13	229.99	4
BIMP012917	Dulxanthone B	410.50	6.3	3	6	100.13	5
BIMP012918	Adiantulupanone	412.70	9.4	0	1	17.07	1
BIMP012919	(-)-Pisatin	314.29	1.7	1	6	66.38	1
BIMP012920	neovibsanin I	416.50	3.2	1	5	72.83	9
BIMP012921	methyl (4S,5E,6S)-5-ethylidene-4-(2-methoxy-2-oxoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate	418.40	-1.7	4	11	161.21	8
BIMP012922	(3R)-8-hydroxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-dihydroisochromen-1-one	418.40	1.4	5	9	145.91	4
BIMP012923	(1R)-1-Ethenylhexyl 6-O-I(2)-D-xylopyranosyl-I(2)-D-glucopyranoside	422.50	-1.1	6	10	158.3	10
BIMP012924	(25r)-5alpha-Spirostane-3,6-dione	428.60	4.4	0	4	52.6	0
BIMP012925	methyl (6aS)-3-chloro-1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate	433.90	3.9	0	6	66.46	5

BIMP012901

beta-Anhydroepidigitoxigenin

356.50

4

1

3

46.53

1

BIMP012902

Geniposide

388.40

-2.3

5

10

155.14

6

BIMP012903

(4aR,6S,10aR,11R,11aS,11bR)-6,10a,11-trihydroxy-8-(hydroxymethyl)-4,4,11b-trimethyl-1,2,3,4a,5,6,11,11a-octahydronaphtho[2,1-f][1]benzofuran-9-one

364.40

1

4

6

107.22

1

BIMP012904

[(4S,4aR,5R,6S,8aS,9R,9aS)-6,9-dihydroxy-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate

364.40

1.8

2

6

93.06

3

BIMP012905

2-Hydroxycyclohexan-1-one

114.14

0.2

1

2

37.3

0

BIMP012906

[(1R,4aR,5R,8aS)-4a-formyl-1-methyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl acetate

374.50

3.2

0

5

69.67

7

BIMP012907

[(3S,5R,8R,9R,10R,13S,14R,17S)-17-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

376.60

6

1

3

46.53

2

BIMP012908

n-(Hexahydro-1h-1,6-epoxypyrrolizin-7-yl)-n-methylformamide

182.22

-0.4

0

3

32.78

1

BIMP012909

Annoglabasin F

378.50

3.9

1

5

72.83

4

BIMP012910

Thyminose

134.13

-2.3

3

4

77.76

4

BIMP012911

(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3-methylbut-2-enoxy)oxane-3,4,5-triol

380.39

-2.3

6

10

158.3

7

BIMP012912

(1S,2R,4R)-2-bromo-1-methyl-4-[3-[(1R,2R,3S,6S)-6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl]prop-1-en-2-yl]cyclohexan-1-ol

383.40

5.1

1

2

32.76

4

BIMP012913

1,2,4-Benzenetriol

126.11

1.5

3

60.69

0

BIMP012914

Isoyatein

400.40

3.8

0

7

72.45

7

BIMP012915

Xyl(b1-6)Glc(b)-O-Ph(2-OH)

404.40

-2.7

7

11

178.53

5

BIMP012916

Procyanidin

594.50

2

10

13

229.99

4

BIMP012917

Dulxanthone B

410.50

6.3

3

6

100.13

5

BIMP012918

Adiantulupanone

412.70

9.4

0

1

17.07

1

BIMP012919

(-)-Pisatin

314.29

1.7

1

6

66.38

1

BIMP012920

neovibsanin I

416.50

3.2

1

5

72.83

9

BIMP012921

methyl (4S,5E,6S)-5-ethylidene-4-(2-methoxy-2-oxoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate

418.40

-1.7

4

11

161.21

8

BIMP012922

(3R)-8-hydroxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-dihydroisochromen-1-one

418.40

1.4

5

9

145.91

4

BIMP012923

(1R)-1-Ethenylhexyl 6-O-I(2)-D-xylopyranosyl-I(2)-D-glucopyranoside

422.50

-1.1

6

10

158.3

10

BIMP012924

(25r)-5alpha-Spirostane-3,6-dione

428.60

4.4

0

4

52.6

0

BIMP012925

methyl (6aS)-3-chloro-1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate

433.90

3.9

0

6

66.46

5