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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
5,6-Dihydroxy-2-(2-phenylethyl)chromone
282.29
3.6
2
4
70.67
3
Gancaonin L
354.40
4.2
4
6
111.13
3
Gancaonin M
352.40
4.9
2
5
79.9
4
Gancaonin N
368.40
4.6
3
6
100.13
4
Gancaonin O
354.40
4.2
4
6
111.13
3
16-Methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol
311.30
2.4
2
5
59.95
1
Fissistigine A
311.30
2.4
2
5
59.95
1
(12R)-16,18-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene
325.40
2.8
1
5
48.95
2
Methyl 3-(3,4,5-trimethoxyphenyl)acrylate
252.26
2.1
0
5
53.99
6
Cascaroside B
580.50
-1.9
10
14
247.06
6
Blepharin
327.29
-1.3
5
8
137.71
3
2-beta-d-Glucopyranosyloxy-1,4-benzoxazin-3-one
327.29
-1.3
5
8
137.71
3
[4,5-Dihydroxy-2-(hydroxymethyl)-6-(3,4,5-trihydroxybenzoyl)oxyoxan-3-yl] 3,4,5-trihydroxybenzoate
484.40
-0.8
9
14
243.9
7
1,4-di-O-galloyl-alpha-d-glucopyranose
484.40
-0.8
9
14
243.9
7
9,10-dihydroxy-3-(hydroxymethyl)-7-methoxy-3,8-dimethyl-5-(2,5,10-trihydroxy-7-methoxy-2,6-dimethyl-4-oxo-1,3-dihydroanthracen-9-yl)-4H-benzo[g]isochromen-1-one
618.60
5.2
6
11
183.21
4
Benzoylgomisin Q
552.60
5.2
1
9
101.91
9
(1S,2R,6S,7R,9R,11S,12S,15S,16S)-15-[(1R)-1-[(1S,4R,6S)-1,6-dimethyl-2-oxo-3,7-dioxabicyclo[4.1.0]heptan-4-yl]-1-hydroxyethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
486.60
2.5
2
7
108.89
2
Ixocarpanolide
472.60
3.8
2
6
96.36
2
(1S,2S,4S,5R,10R,11S,14S,15S,18S)-15-[(1R)-1-[(2R,4S,5R)-4,5-dimethyl-6-oxooxan-2-yl]-1-hydroxyethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
472.60
3.8
2
6
96.36
2
14alpha-Hydroxyixocarpanolide
488.60
2.4
3
7
116.59
2
(1S,2S,4S,5R,10R,11S,14R,15S,18R)-15-[(1R)-1-[(2R,4S,5R)-4,5-dimethyl-6-oxooxan-2-yl]-1-hydroxyethyl]-5,18-dihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
488.60
2.4
3
7
116.59
2
Lactiflorin
462.40
-0.5
3
10
140.98
5
(+)-Lactiflorin
462.40
-0.5
3
10
140.98
5
11-hydroxy-1-(hydroxymethyl)-3,3,5a,5b,10,11,13b-heptamethyl-4,5,6,7,8,9,10,11a,13,13a-decahydro-3aH-cyclopenta[a]chrysene-7a-carboxylic acid
470.70
5.3
3
4
77.76
2
Hyptadienic acid
470.70
5.3
3
4
77.76
2
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