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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
(1Z,5Z,10Z,12S)-1,5-dimethyl-9-methylidene-12-propan-2-ylcyclotetradeca-1,5,10-triene
272.50
6
0
0
0
1
[(1R,2R,4aR,8aR)-2-(2-hydroxypropan-2-yl)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-1-yl] acetate
280.40
3.1
1
3
46.53
3
CID 101603219
514.60
0
7
10
177.14
5
(3R,4aR,6aR,9aS,9bR)-3-ethenyl-3,4a,7,7,9a-pentamethyl-2,5,6,6a,9,9b-hexahydro-1H-cyclopenta[f]chromen-8-one
290.40
3.7
0
2
26.3
1
(2S,4aR)-2,5,6,8,10-pentahydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4-dihydro-2H-phenanthren-9-one
362.40
3.6
5
6
118.22
1
(2S,4aS,10aR)-2,5,6,8-tetrahydroxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene-9,10-dione
362.40
3.3
4
6
115.06
1
methyl (1S,15R,17S,18S)-17-ethyl-7-[(1S,12R,14R,15Z,18S)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
704.90
6.1
2
7
99.89
7
methyl (1R,10S,15E,17R,18R)-15-ethylidene-18-hydroxy-3-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.02,13.04,9.010,17]icosa-4,6,8-triene-17-carboxylate
382.50
1.9
1
6
62.24
2
(1S,3R,6S,7S,8S,11S,12S,14R,15S,16R)-6-(dimethylamino)-15-[(1S)-1-(dimethylamino)ethyl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadec-9-en-14-ol
414.70
5.3
1
3
26.71
3
Cyclobuxoviridine
383.60
6.6
0
2
20.31
2
2-(1,2-Dimethyl-8-tetracyclo[4.4.0.02,4.03,7]decanyl)propanoic acid
234.33
3.6
1
2
37.3
2
1-[(1S,3R,6S,8R,11S,12S,16S)-6-(dimethylamino)-12,16-dimethyl-7-methylidene-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-14-enyl]ethanone
367.60
5.2
0
2
20.31
2
(1S,3R,6S,7R,8R,11S,12S,14R,15S,16R)-6-(dimethylamino)-15-[(1S)-1-(dimethylamino)ethyl]-7-(hydroxymethyl)-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadec-9-en-14-ol
444.70
4.5
2
4
46.94
4
[(1S,3R,6S,7R,8R,11S,12S,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-7,12,16-trimethyl-6-(methylamino)-7-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-9-enyl]methanol
414.70
5.7
2
3
35.5
4
4a,5,5a,6,6a,6b,7,7a-Octahydro-7,7a-dihydroxy-3,6b-dimethyl-5-methylenecycloprop[2,3]indeno[5,6-b]furan-2(4H)-one
262.30
0.4
2
4
66.76
0
(1S,2R,5R,7S,14R,15R,16S,17S)-5,8-dihydroxy-2,9,15,17-tetramethyl-6,13-dioxapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-8,10-diene-4,12-dione
360.40
0.9
2
6
93.06
0
(1S,2S,6S,7R,8S,12R,14S,15S,19S,20S)-10-hydroxy-17-methoxy-7,15,19,20-tetramethyl-3,5,11-trioxapentacyclo[10.7.1.02,6.08,20.014,19]icos-16-en-18-one
392.50
2.8
1
6
74.22
1
(1S,2S,4S,6R,7S,9R,13R,17S)-15-methoxy-2,6,14,17-tetramethyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-14-ene-3,11,16-trione
538.60
0
4
11
169.05
4
(1S,2S,6S,7R,8S,10S,12R,14S,15S,19S,20S)-17-methoxy-7,15,19,20-tetramethyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,11-trioxapentacyclo[10.7.1.02,6.08,20.014,19]icos-16-en-18-one
554.60
1.2
4
11
153.37
4
(1E,5Z,11Z)-5,11-dimethyl-8-prop-1-en-2-ylcyclotetradeca-1,5,11-triene-1-carboxylic acid
302.50
5.3
1
2
37.3
2
(5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
424.70
8.6
0
1
17.07
4
(1S,2S,5S,7R,8R)-2,6,6-trimethyltricyclo[6.2.1.01,5]undecan-7-ol
208.34
3.9
1
1
20.23
0
Sagittariol
306.50
4.4
2
2
40.46
5
Soyasaponin Ah
1245.40
1
10
27
398.41
19
Soyasaponin Ae
1203.30
1
11
26
392.34
17
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