Chemical Library : Dataset Browser

BIMP_ID	Name	Mol Weight	LogP	HBD	HBA	TPSA	Rotatable Bonds
BIMP010276	demethoxyfumitremorgin C	349.40	3	1	2	56.41	1
BIMP010277	(5R,5aS,8aR)-5-(1,3-benzodioxol-5-yl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one	352.30	3.2	0	6	63.22	1
BIMP010278	xanthohumol C	352.40	4.4	2	5	75.99	4
BIMP010279	Isobiflorin	354.31	-0.7	6	9	160.82	2
BIMP010280	3'-Hydroxy-4'-methoxyglabridin	354.40	3.9	2	5	68.15	2
BIMP010281	2,4,14-Eicosatrienoic acid isobutylamide	361.60	8.9	1	1	29.1	17
BIMP010282	(1R,2S,3S,5S,8S,9R,11R,17R)-3,9,16,17-tetrahydroxy-12,12-dimethyl-6-methylidenepentacyclo[7.6.1.15,8.01,11.02,8]heptadecane-7,10-dione	362.40	-0.2	4	6	115.06	0
BIMP010283	Hierochin B	372.40	2.2	2	6	77.38	7
BIMP010284	clauslactone D	374.30	1.3	2	8	115.43	4
BIMP010285	[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate	374.40	3.9	0	6	71.06	11
BIMP010286	(13aS)-4,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-3-ol	379.40	4.4	1	5	51.16	3
BIMP010287	phelligridin D	380.30	2.5	4	8	141.34	2
BIMP010288	Niazimin	383.40	0.7	3	8	123.55	8
BIMP010289	Lushanrubescensin H	390.50	2.9	1	6	89.9	3
BIMP010290	(S)-2-(4-Hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4(8H)-one	390.50	5.4	1	4	55.76	3
BIMP010291	(1S,2S,6S,7R,14S,15S)-10-hydroxy-17-methoxy-7,15,19,20-tetramethyl-3,5,11-trioxapentacyclo[10.7.1.02,6.08,20.014,19]icos-16-en-18-one	392.50	2.8	1	6	74.22	1
BIMP010292	Simonsinol	398.50	7.3	3	3	60.69	8
BIMP010293	2(5H)-Furanone	84.07	-0.6	0	2	26.3	0
BIMP010294	2,10-Di-(gamma,gamma-dimethylallyl)-glycinol	408.50	5.1	3	5	79.15	4
BIMP010295	(1S,14S,22R)-22-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one	410.40	3.2	1	7	83.45	2
BIMP010296	(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3-methylbutoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	412.40	-2	7	11	178.53	8
BIMP010297	(2R,6R,8S,11S)-2,3,11,12,15,16-hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-4-one	412.40	-2.8	6	9	156.91	0
BIMP010298	Dendroside A	416.50	-0.1	6	8	139.84	5
BIMP010299	Dihydrodaidzin	418.40	0.6	5	9	145.91	4
BIMP010300	2-Methyl-1,3-dioxolane	88.11	0.2	0	2	18.46	0

BIMP010276

demethoxyfumitremorgin C

349.40

3

1

2

56.41

1

BIMP010277

(5R,5aS,8aR)-5-(1,3-benzodioxol-5-yl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one

352.30

3.2

0

6

63.22

1

BIMP010278

xanthohumol C

352.40

4.4

2

5

75.99

4

BIMP010279

Isobiflorin

354.31

-0.7

6

9

160.82

2

BIMP010280

3'-Hydroxy-4'-methoxyglabridin

354.40

3.9

2

5

68.15

2

BIMP010281

2,4,14-Eicosatrienoic acid isobutylamide

361.60

8.9

1

29.1

17

BIMP010282

(1R,2S,3S,5S,8S,9R,11R,17R)-3,9,16,17-tetrahydroxy-12,12-dimethyl-6-methylidenepentacyclo[7.6.1.15,8.01,11.02,8]heptadecane-7,10-dione

362.40

-0.2

4

6

115.06

0

BIMP010283

Hierochin B

372.40

2.2

2

6

77.38

7

BIMP010284

clauslactone D

374.30

1.3

2

8

115.43

4

BIMP010285

[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoate

374.40

3.9

0

6

71.06

11

BIMP010286

(13aS)-4,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-3-ol

379.40

4.4

1

5

51.16

3

BIMP010287

phelligridin D

380.30

2.5

4

8

141.34

2

BIMP010288

Niazimin

383.40

0.7

3

8

123.55

8

BIMP010289

Lushanrubescensin H

390.50

2.9

1

6

89.9

3

BIMP010290

(S)-2-(4-Hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4(8H)-one

390.50

5.4

1

4

55.76

3

BIMP010291

(1S,2S,6S,7R,14S,15S)-10-hydroxy-17-methoxy-7,15,19,20-tetramethyl-3,5,11-trioxapentacyclo[10.7.1.02,6.08,20.014,19]icos-16-en-18-one

392.50

2.8

1

6

74.22

1

BIMP010292

Simonsinol

398.50

7.3

3

60.69

8

BIMP010293

2(5H)-Furanone

84.07

-0.6

0

2

26.3

0

BIMP010294

2,10-Di-(gamma,gamma-dimethylallyl)-glycinol

408.50

5.1

3

5

79.15

4

BIMP010295

(1S,14S,22R)-22-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one

410.40

3.2

1

7

83.45

2

BIMP010296

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

412.40

-2

7

11

178.53

8

BIMP010297

(2R,6R,8S,11S)-2,3,11,12,15,16-hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-4-one

412.40

-2.8

6

9

156.91

0

BIMP010298

Dendroside A

416.50

-0.1

6

8

139.84

5

BIMP010299

Dihydrodaidzin

418.40

0.6

5

9

145.91

4

BIMP010300

2-Methyl-1,3-dioxolane

88.11

0.2

0

2

18.46

0