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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
10-Acetoxy-8,9-epoxythymol isobutyrate
292.33
2.5
0
5
65.13
7
2-[(2R,4aS,8aS)-4a,8-dimethyl-2,3,4,8a-tetrahydro-1H-naphthalen-2-yl]propan-2-ol
220.35
3.4
1
1
20.23
1
Hydroxyconiferyl alcohol
196.20
0.8
3
4
69.92
3
2,4,5,6-Phenanthrenetetrol
242.23
3
4
4
80.92
0
Sterculic acid
294.50
5.8
1
2
37.3
15
5-ethyl-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-1,3-benzenediol
272.40
4.9
2
2
40.46
3
Tamsulosin
408.50
2.7
2
7
108.26
11
(3S)-6,7-Dihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
209.20
-2
4
5
89.79
1
3,5-Dihydroxy-4-methoxybenzaldehyde
168.15
0.6
2
4
66.76
2
Planinin
370.40
2.8
0
6
55.38
4
(1R,2S,4S,7E,8S,9R)-7-ethylidene-1'-methoxy-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one
354.40
1.7
0
4
42.01
1
[(1R,2E,4R,8R,9R,11R)-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl] 2-methylpropanoate
348.40
1.7
1
6
82.06
3
methyl (4aR,5aR,6S,10aR)-5',6'-dimethoxy-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
428.50
1.6
1
7
86.33
4
[2-[(2S,4aR,4bS,8aR)-7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]-2-hydroxyethyl] acetate
364.50
3.8
2
4
66.76
4
7-[(1R,4aR,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-hydroxy-4,7-dihydro-3H-dioxepine-5-carbaldehyde
334.40
4.1
1
4
55.76
2
(6beta,22E)-6-Hydroxystigmasta-4,22-dien-3-one
426.70
7.2
1
2
37.3
5
[(1S,4R,7S,9R,13R)-16-hydroxy-11-(hydroxymethyl)-4,8,8,15-tetramethyl-12-oxo-3-oxatetracyclo[11.3.0.02,4.07,9]hexadec-10-en-13-yl] 3-phenylprop-2-enoate
480.60
4.4
2
6
96.36
5
Methyl 5-ethoxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
432.40
-2.5
5
11
164.37
8
(1S)-3,4-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexane-1-carboxylic acid
516.40
1.5
7
12
211.28
9
CID 129316856
516.40
1.5
7
12
211.28
9
(2beta,3beta,4beta,5alpha,12beta,19alpha)-4-(Acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methyl-aspidospermidine-3-carboxylic acid methyl ester
456.50
1.3
1
8
88.54
6
(1R,2S,9R,17S)-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
262.35
1.2
0
2
43.37
0
(1S,2S,5S,6R,9S,10R,15S)-5-(5,6-dimethylhept-3-en-2-yl)-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol
428.60
6.7
1
3
38.69
4
(5R,9S,10R,13S,14S,17R)-17-[(3S)-5-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
472.70
5.8
2
4
66.76
2
Eudesma-4,11(13)-dien-12-oic acid;gamma-Costic acid
234.33
3.6
1
2
37.3
2
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