Chemical Library : Dataset Browser

BIMP_ID	Name	Mol Weight	LogP	HBD	HBA	TPSA	Rotatable Bonds
BIMP028751	2-Hydroxy-3-methoxy-6-methyl-5,8-dioxo-4-propan-2-ylnaphthalene-1-carbaldehyde	288.29	2.6	1	5	80.67	3
BIMP028752	5-Hydroxy-6,7-dimethoxychromen-2-one	222.19	1.5	1	5	68.9	2
BIMP028753	Jatropholone A	296.40	4.5	1	2	37.3	0
BIMP028754	jatropholone B	296.40	4.5	1	2	37.3	0
BIMP028755	Myricanol 5-glucoside	520.60	2.3	6	10	158.3	5
BIMP028756	Yadanzioside K	768.80	-1	6	18	271.34	11
BIMP028757	[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate	470.80	10.8	0	2	26.3	7
BIMP028758	methyl (1S,4aR,5S,8aR)-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate	334.50	4.9	1	3	46.53	6
BIMP028759	methyl (1S,4aR,5S,8aR)-5-[(E)-5-methoxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate	348.50	5.5	0	3	35.53	7
BIMP028760	(S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside]	530.60	1.9	6	10	158.3	12
BIMP028761	(S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside]	676.80	0.8	8	14	217.22	14
BIMP028762	3,5-Dihydroxy-4-geranylbibenzyl	350.50	7.2	2	2	40.46	8
BIMP028763	2-Geranyl-3,5-dihydroxybibenzyl	350.50	7.2	2	2	40.46	8
BIMP028764	Grayanotoxin II	352.50	0.3	5	5	101.15	0
BIMP028765	Methyl 17-ethyl-10-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2,4,6,8-tetraene-1-carboxylate	354.40	2.4	1	5	62.13	3
BIMP028766	Coronaridine hydroxyindolenine	354.40	2.4	1	5	62.13	3
BIMP028767	3-Oxo-coronaridine	352.40	2.7	1	3	62.4	3
BIMP028768	(4-Methyl-12-oxo-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),13,15(19)-trien-9-yl) 3-hydroxybutanoate	403.40	1.7	1	8	94.53	4
BIMP028769	[6-[5-[Formyl(methyl)amino]benzo[f][1,3]benzodioxol-6-yl]-2,3-dimethoxyphenyl] acetate	423.40	3.7	0	7	83.53	6
BIMP028770	1-Phenyl-3-(2,3,4,5-tetrahydroxy-6-methoxyphenyl)prop-2-en-1-one	302.28	2.2	4	6	107.22	4
BIMP028771	4-Nonyne	124.22	3.9	0	0	0	3
BIMP028772	6-[(4-Hydroxy-3-methylbut-2-enyl)amino]-3,7-dihydropurin-2-one	235.24	-0.3	4	3	106.69	4
BIMP028773	3-Acetyl-1-propanol	102.13	-0.4	1	2	37.3	3
BIMP028774	3,3,4-Trimethylheptane	142.28	4.9	0	0	0	4
BIMP028775	2,6-Dimethylheptane	128.25	4.5	0	0	0	4

BIMP028751

2-Hydroxy-3-methoxy-6-methyl-5,8-dioxo-4-propan-2-ylnaphthalene-1-carbaldehyde

288.29

2.6

1

5

80.67

3

BIMP028752

5-Hydroxy-6,7-dimethoxychromen-2-one

222.19

1.5

1

5

68.9

2

BIMP028753

Jatropholone A

296.40

4.5

1

2

37.3

0

BIMP028754

jatropholone B

296.40

4.5

1

2

37.3

0

BIMP028755

Myricanol 5-glucoside

520.60

2.3

6

10

158.3

5

BIMP028756

Yadanzioside K

768.80

-1

6

18

271.34

11

BIMP028757

[(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate

470.80

10.8

0

2

26.3

7

BIMP028758

methyl (1S,4aR,5S,8aR)-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate

334.50

4.9

1

3

46.53

6

BIMP028759

methyl (1S,4aR,5S,8aR)-5-[(E)-5-methoxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate

348.50

5.5

0

3

35.53

7

BIMP028760

(S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside]

530.60

1.9

6

10

158.3

12

BIMP028761

(S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside]

676.80

0.8

8

14

217.22

14

BIMP028762

3,5-Dihydroxy-4-geranylbibenzyl

350.50

7.2

2

40.46

8

BIMP028763

2-Geranyl-3,5-dihydroxybibenzyl

350.50

7.2

2

40.46

8

BIMP028764

Grayanotoxin II

352.50

0.3

5

101.15

0

BIMP028765

Methyl 17-ethyl-10-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2,4,6,8-tetraene-1-carboxylate

354.40

2.4

1

5

62.13

3

BIMP028766

Coronaridine hydroxyindolenine

354.40

2.4

1

5

62.13

3

BIMP028767

3-Oxo-coronaridine

352.40

2.7

1

3

62.4

3

BIMP028768

(4-Methyl-12-oxo-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),13,15(19)-trien-9-yl) 3-hydroxybutanoate

403.40

1.7

1

8

94.53

4

BIMP028769

[6-[5-[Formyl(methyl)amino]benzo[f][1,3]benzodioxol-6-yl]-2,3-dimethoxyphenyl] acetate

423.40

3.7

0

7

83.53

6

BIMP028770

1-Phenyl-3-(2,3,4,5-tetrahydroxy-6-methoxyphenyl)prop-2-en-1-one

302.28

2.2

4

6

107.22

4

BIMP028771

4-Nonyne

124.22

3.9

0

3

BIMP028772

6-[(4-Hydroxy-3-methylbut-2-enyl)amino]-3,7-dihydropurin-2-one

235.24

-0.3

4

3

106.69

4

BIMP028773

3-Acetyl-1-propanol

102.13

-0.4

1

2

37.3

3

BIMP028774

3,3,4-Trimethylheptane

142.28

4.9

0

4

BIMP028775

2,6-Dimethylheptane

128.25

4.5

0

4