Chemical Library : Dataset Browser

BIMP_ID	Name	Mol Weight	LogP	HBD	HBA	TPSA	Rotatable Bonds
BIMP015026	Methyl artemisinate	248.36	4.1	0	2	26.3	3
BIMP015027	1H-3a,7-Methanoazulen-5(4H)-one, hexahydro-3,6,8,8-tetramethyl-	220.35	4	0	1	17.07	0
BIMP015028	(1R,10R)-3-hydroxy-4-methoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5,13-tetraen-12-one	271.31	1.4	1	4	49.77	1
BIMP015029	2-Furanol, 5-ethenyltetrahydro-5-methyl-2-(1-methylethyl)-	170.25	2.1	1	2	29.46	2
BIMP015030	6-Hydroxyshogaol	292.40	2.2	2	4	66.76	9
BIMP015031	(4e)-1,5-Bis(4-hydroxyphenyl)-2-(hydroxymethyl)-4-penten-1-ol	300.30	2.5	4	4	80.92	6
BIMP015032	(E)-Piperolein A	315.40	3.8	0	3	38.77	6
BIMP015033	Methyl trans-communate	316.50	6	0	2	26.3	5
BIMP015034	Opuntioside-I	318.28	-2	4	9	138.82	5
BIMP015035	Galanolactone	318.40	4.6	0	3	38.83	2
BIMP015036	[(1S,2S,3S,10S,13S,15R)-2-hydroxy-15-methyl-11-oxo-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-3-yl] acetate	321.40	1	1	5	66.84	2
BIMP015037	methyl (1R,2R,3S,6S,7S,9R,10R,11S)-1,6-dihydroxy-2-methyl-5-oxo-10-prop-1-en-2-yl-4,8-dioxatetracyclo[5.4.1.02,6.03,9]dodecane-11-carboxylate	324.32	0.6	2	7	102.29	3
BIMP015038	Beta-Phellandrene	136.23	3.4	0	0	0	1
BIMP015039	5,7-Dihydroxy-2-(2-hydroxyphenyl)-3,6-dimethoxychromen-4-one	330.29	2.8	3	7	109.36	3
BIMP015040	4-[2-(hydroxymethyl)-6-[(E)-3-hydroxyprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]benzene-1,2-diol	330.30	1.6	4	6	99.38	4
BIMP015041	(2S,7R)-2-[(1S)-1-bromopropyl]-7-[(E,1R)-1-chlorohex-3-en-5-ynyl]-2,3,6,7-tetrahydrooxepine	331.67	5	0	1	9.23	5
BIMP015042	Ophiopogonone C	354.30	3.5	2	7	106.2	3
BIMP015043	[(2S,4aR,4bS,5S,7R,10aS)-5-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-1,1,4a-trimethyl-2,3,4,4b,5,6,7,10a-octahydrophenanthren-2-yl] acetate	360.50	3.3	2	4	66.76	4
BIMP015044	(3R,5R)-1-(4-Hydroxy-3-methoxyphenyl)-7-(3,4-dihydroxyphenyl)heptane-3,5-diol	362.40	2.9	5	6	110.38	9
BIMP015045	Vitetrifolin E	364.50	3.6	2	4	66.76	6
BIMP015046	(3R,5R)-1-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)heptane-3,5-diol	374.50	3.5	2	5	68.15	11
BIMP015047	[(Z)-5-(benzoyloxymethyl)-4,5,6-trihydroxyhex-2-enyl] benzoate	386.40	1.5	3	7	113.29	11
BIMP015048	Turpinionoside D	390.50	-0.9	6	8	139.84	6
BIMP015049	(3S,3aR,5S,6S,8aS)-3-[(1R,3R,4S)-3-bromo-4-hydroxy-4-methylcyclohexyl]-3,6-dimethyl-1-methylidene-3a,4,5,7,8,8a-hexahydro-2H-azulene-5,6-diol	401.40	3	3	3	60.69	1
BIMP015050	Garcimangosone B	408.40	5	1	6	78.13	1

BIMP015026

Methyl artemisinate

248.36

4.1

0

2

26.3

3

BIMP015027

1H-3a,7-Methanoazulen-5(4H)-one, hexahydro-3,6,8,8-tetramethyl-

220.35

4

0

1

17.07

0

BIMP015028

(1R,10R)-3-hydroxy-4-methoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5,13-tetraen-12-one

271.31

1.4

1

4

49.77

1

BIMP015029

2-Furanol, 5-ethenyltetrahydro-5-methyl-2-(1-methylethyl)-

170.25

2.1

1

2

29.46

2

BIMP015030

6-Hydroxyshogaol

292.40

2.2

2

4

66.76

9

BIMP015031

(4e)-1,5-Bis(4-hydroxyphenyl)-2-(hydroxymethyl)-4-penten-1-ol

300.30

2.5

4

80.92

6

BIMP015032

(E)-Piperolein A

315.40

3.8

0

3

38.77

6

BIMP015033

Methyl trans-communate

316.50

6

0

2

26.3

5

BIMP015034

Opuntioside-I

318.28

-2

4

9

138.82

5

BIMP015035

Galanolactone

318.40

4.6

0

3

38.83

2

BIMP015036

[(1S,2S,3S,10S,13S,15R)-2-hydroxy-15-methyl-11-oxo-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-3-yl] acetate

321.40

1

5

66.84

2

BIMP015037

methyl (1R,2R,3S,6S,7S,9R,10R,11S)-1,6-dihydroxy-2-methyl-5-oxo-10-prop-1-en-2-yl-4,8-dioxatetracyclo[5.4.1.02,6.03,9]dodecane-11-carboxylate

324.32

0.6

2

7

102.29

3

BIMP015038

Beta-Phellandrene

136.23

3.4

0

1

BIMP015039

5,7-Dihydroxy-2-(2-hydroxyphenyl)-3,6-dimethoxychromen-4-one

330.29

2.8

3

7

109.36

3

BIMP015040

4-[2-(hydroxymethyl)-6-[(E)-3-hydroxyprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]benzene-1,2-diol

330.30

1.6

4

6

99.38

4

BIMP015041

(2S,7R)-2-[(1S)-1-bromopropyl]-7-[(E,1R)-1-chlorohex-3-en-5-ynyl]-2,3,6,7-tetrahydrooxepine

331.67

5

0

1

9.23

5

BIMP015042

Ophiopogonone C

354.30

3.5

2

7

106.2

3

BIMP015043

[(2S,4aR,4bS,5S,7R,10aS)-5-hydroxy-7-(3-hydroxyprop-1-en-2-yl)-1,1,4a-trimethyl-2,3,4,4b,5,6,7,10a-octahydrophenanthren-2-yl] acetate

360.50

3.3

2

4

66.76

4

BIMP015044

(3R,5R)-1-(4-Hydroxy-3-methoxyphenyl)-7-(3,4-dihydroxyphenyl)heptane-3,5-diol

362.40

2.9

5

6

110.38

9

BIMP015045

Vitetrifolin E

364.50

3.6

2

4

66.76

6

BIMP015046

(3R,5R)-1-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)heptane-3,5-diol

374.50

3.5

2

5

68.15

11

BIMP015047

[(Z)-5-(benzoyloxymethyl)-4,5,6-trihydroxyhex-2-enyl] benzoate

386.40

1.5

3

7

113.29

11

BIMP015048

Turpinionoside D

390.50

-0.9

6

8

139.84

6

BIMP015049

(3S,3aR,5S,6S,8aS)-3-[(1R,3R,4S)-3-bromo-4-hydroxy-4-methylcyclohexyl]-3,6-dimethyl-1-methylidene-3a,4,5,7,8,8a-hexahydro-2H-azulene-5,6-diol

401.40

3

60.69

1

BIMP015050

Garcimangosone B

408.40

5

1

6

78.13

1