Chemical Library : Dataset Browser

BIMP_ID	Name	Mol Weight	LogP	HBD	HBA	TPSA	Rotatable Bonds
BIMP034976	4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-one	264.40	4.8	0	2	26.3	0
BIMP034977	(4aS,7R,8R,8aS)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-one	264.40	4.8	0	2	26.3	0
BIMP034978	4,7-Dimethoxy-5-(1-propenyl)-1,3-benzodioxol	222.24	2.7	0	4	36.92	3
BIMP034979	Isobaurenol	426.70	8.7	1	1	20.23	0
BIMP034980	Isocalamenene	202.33	5.1	0	0	0	1
BIMP034981	Isocaviunin	374.30	2.9	2	8	107.59	5
BIMP034982	Chanoclavine II	256.34	2.2	3	2	48.05	3
BIMP034983	(2R)-2,3-Dihydropropyl beta-D-glucopyranoside	254.23	-3.4	6	8	139.84	5
BIMP034984	(-)-Roemeroline	295.30	2.9	1	4	41.93	0
BIMP034985	Isoglabrolide	468.70	5.8	1	4	63.6	0
BIMP034986	Isolysergic acid	268.31	0	2	3	56.33	1
BIMP034987	1,3,6,7-tetrahydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one	422.30	-0.4	8	11	201.28	2
BIMP034988	(3R)-5-[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol	290.50	5.4	1	1	20.23	4
BIMP034989	(E,6S)-2-methyl-6-[(5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoic acid	454.70	7.3	1	3	54.37	5
BIMP034990	Epimesquitol-4beta-ol	306.27	0.3	6	7	130.61	1
BIMP034991	(1S,4aR,5R,7S,7aR)-4,7-dimethyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,7-triol	378.37	-3.4	7	10	169.3	3
BIMP034992	Lanatoside E	1013.10	0.6	7	21	294.35	14
BIMP034993	(Z)-lanceol	220.35	4	1	1	20.23	5
BIMP034994	CID 15560076	552.80	7.8	1	5	80.67	4
BIMP034995	Lantadene B	552.80	8	1	5	80.67	4
BIMP034996	Lantanolic acid	470.70	6.5	2	4	66.76	1
BIMP034997	4-[[(3R,4S,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenol	360.40	2.4	3	6	88.38	6
BIMP034998	(3S,4aS,6aR,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene	290.50	5.9	0	1	9.23	1
BIMP034999	(3R,4aS,6aR,10aR,10bR)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene	290.50	5.9	0	1	9.23	1
BIMP035000	Mansonin	578.70	0.4	3	10	140.98	6

BIMP034976

4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-one

264.40

4.8

0

2

26.3

0

BIMP034977

(4aS,7R,8R,8aS)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,5'-oxolane]-2'-one

264.40

4.8

0

2

26.3

0

BIMP034978

4,7-Dimethoxy-5-(1-propenyl)-1,3-benzodioxol

222.24

2.7

0

4

36.92

3

BIMP034979

Isobaurenol

426.70

8.7

1

20.23

0

BIMP034980

Isocalamenene

202.33

5.1

0

1

BIMP034981

Isocaviunin

374.30

2.9

2

8

107.59

5

BIMP034982

Chanoclavine II

256.34

2.2

3

2

48.05

3

BIMP034983

(2R)-2,3-Dihydropropyl beta-D-glucopyranoside

254.23

-3.4

6

8

139.84

5

BIMP034984

(-)-Roemeroline

295.30

2.9

1

4

41.93

0

BIMP034985

Isoglabrolide

468.70

5.8

1

4

63.6

0

BIMP034986

Isolysergic acid

268.31

0

2

3

56.33

1

BIMP034987

1,3,6,7-tetrahydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one

422.30

-0.4

8

11

201.28

2

BIMP034988

(3R)-5-[(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol

290.50

5.4

1

20.23

4

BIMP034989

(E,6S)-2-methyl-6-[(5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoic acid

454.70

7.3

1

3

54.37

5

BIMP034990

Epimesquitol-4beta-ol

306.27

0.3

6

7

130.61

1

BIMP034991

(1S,4aR,5R,7S,7aR)-4,7-dimethyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,7-triol

378.37

-3.4

7

10

169.3

3

BIMP034992

Lanatoside E

1013.10

0.6

7

21

294.35

14

BIMP034993

(Z)-lanceol

220.35

4

1

20.23

5

BIMP034994

CID 15560076

552.80

7.8

1

5

80.67

4

BIMP034995

Lantadene B

552.80

8

1

5

80.67

4

BIMP034996

Lantanolic acid

470.70

6.5

2

4

66.76

1

BIMP034997

4-[[(3R,4S,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenol

360.40

2.4

3

6

88.38

6

BIMP034998

(3S,4aS,6aR,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene

290.50

5.9

0

1

9.23

1

BIMP034999

(3R,4aS,6aR,10aR,10bR)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene

290.50

5.9

0

1

9.23

1

BIMP035000

Mansonin

578.70

0.4

3

10

140.98

6