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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
trans-3-Methylthioacrylamide
101.17
0.6
1
1
58.11
1
3-alpha-O-acetyl-alpha-boswellic acid
498.70
8.4
1
4
63.6
3
2-methoxy-9H-carbazol-3-ol
213.23
3
2
2
45.25
1
Phloraspidinol
446.50
4.9
4
8
133.52
10
12-Phenyldodecanoic acid
276.40
6.3
1
2
37.3
12
[(E)-hex-1-enyl] benzoate
204.26
4
0
2
26.3
6
5-Pentadeca-8,11,14-trienylbenzene-1,3-diol
314.50
7.2
2
2
40.46
12
Arg-arg
330.39
-6.5
7
6
221.22
11
2-Methyl-3-(3,7,11,15-tetramethylhexadecyl)-1,4-naphthalenedione
452.70
10.7
0
2
34.14
15
Eicosa-5,11,14-trienoic acid
306.50
6.7
1
2
37.3
15
4-O-beta-D-Mannopyranosyl-D-mannopyranose
342.30
-4.7
8
11
189.53
4
2,3-Diepisecasterone
446.70
5.7
2
4
70.06
5
(3R,4aS,6aS,10aR,10bS)-3-ethenyl-3-(hydroxymethyl)-4a,7,7,10a-tetramethyl-1,2,5,6,6a,9,10,10b-octahydrobenzo[f]chromen-8-one
320.50
3
1
3
46.53
2
(3R,4aS,6aR,10aR,10bR)-3-ethenyl-3-(hydroxymethyl)-4a,7,7,10a-tetramethyl-1,2,5,6,6a,9,10,10b-octahydrobenzo[f]chromen-8-one
320.50
3
1
3
46.53
2
[(1R,2R,5S,6R,10R,11S,12R,15R,16R,18S,19R)-18-acetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-16-yl] (E)-2-methylbut-2-enoate
552.70
5.4
1
7
95.2
6
(5S,5aS,11bS,11cS)-9-hydroxy-5,10-dimethoxy-1-methyl-2,3,5,5a,11b,11c-hexahydroisochromeno[3,4-g]indol-7-one
331.40
1.1
1
6
68.23
2
Kauran-18-oic acid, 16-hydroxy-, (4alpha)-
320.50
4.5
2
3
57.53
1
Conofoline
736.90
4.9
2
11
111.8
7
methyl (1R,12S,13S,15R,16R,20R)-12-ethyl-16-[(1S,9S,12S,13S,14S,19R)-12-ethyl-13,14-dihydroxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-4-yl]-4-hydroxy-5,6-dimethoxy-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate
754.90
3.9
4
12
139.73
7
(1R,2S,3R,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-3-ol
220.35
3.3
1
1
20.23
0
(2S,4aR,6aR,7R,10aS,10bS)-2-(furan-3-yl)-7-hydroxy-6a,10b-dimethyl-2,4a,5,6,7,10a-hexahydro-1H-benzo[f]isochromene-4,10-dione
330.40
1.8
1
5
76.74
1
[(1'R,2R,2'R,3'R,5'S,8'R,9'R,10'R,13'S)-10'-acetyloxy-2',5',9'-trihydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-13'-yl] acetate
452.50
0.3
3
8
125.82
4
3-[(1S,2S,4aR,4bR,6aR,10bS,12aR)-1,4a,4b,6a,9,9-hexamethyl-2-prop-1-en-2-yl-3,4,5,6,7,8,10b,11,12,12a-decahydro-2H-chrysen-1-yl]propanoic acid
440.70
9.4
1
2
37.3
4
methyl (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylate
490.40
1.4
5
12
185.35
6
2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one
195.17
0.3
2
4
67.79
1
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