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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
[(1S,2R,5R,6S)-6-acetyloxy-5-benzoyloxy-1,2-dihydroxycyclohex-3-en-1-yl]methyl benzoate
426.40
2.1
2
8
119.36
9
(3E)-undeca-1,3-dien-5,7,9-triyne
140.18
3.3
0
0
0
3
(4S)-3-(hydroxymethyl)-5,5-dimethyl-4-[(E,3S)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
386.40
-1.2
5
8
136.68
6
5Z,8Z,11E,14Z,17Z-eicosapentaenoic acid
302.50
5.6
1
2
37.3
13
(1S,3S,6R,7S,8R,11R,12S,14R,15S,16S,19R,21R)-7-(hydroxymethyl)-3,7,11,16,20,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricosane-1,8,14,19-tetrol
492.70
5.1
5
5
101.15
1
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,3R,4R,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-3-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
1051.20
-1.3
13
23
355.29
11
methyl (1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a-[[(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-9-hydroxy-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
648.90
9.1
3
7
113.29
8
26-Hydroxycastasterone
480.70
3.5
5
6
118.22
6
3-[(1E)-4-methylpenta-1,4-dienyl]furan
148.20
3.3
0
1
13.14
3
1-[(E)-pent-2-enyl]cyclohexa-1,3-diene
148.24
3.5
0
0
0
3
Ilexlactone
152.15
-0.1
1
3
46.53
0
(E)-S-1-Propenyl thiosulfate
154.21
0.3
1
4
88.05
2
[(2R)-2-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-5-methylhex-4-en-2-yl] 2-methylbutanoate
386.40
5.1
2
6
100.9
7
3-Penta-2,4-diynylphenol
156.18
2.5
1
1
20.23
2
(1S)-1-methyl-2,4-dihydro-1H-2,7-naphthyridin-3-one
162.19
0
1
2
41.99
0
5,8-Dihydroxy-1,4-naphthoquinone
190.15
1.8
2
4
74.6
0
(E)-3-(3-hydroxyphenoxy)prop-2-enal
164.16
1.2
1
3
46.53
3
1-(Ethylthio)ethyl methyl disulfide
168.40
2.5
0
3
75.9
4
Ethyl (ethylthio)methyl disulfide
168.40
2.4
0
3
75.9
5
3-Hexa-2,4-diynylphenol
170.21
3.1
1
1
20.23
2
(s)-12,13-Epoxy-2,4,6,8,10-tridecapentayne
178.19
2.1
0
1
12.53
4
CID 101411820
178.27
2.7
0
1
9.23
0
1-[3-Hydroxy-5-(1-propynyl)-2-thiophenyl]ethanone
180.23
2.6
1
3
65.54
2
[(2S,4aS,5R,6R,8R,8aS)-8-formyloxy-1,1,4a,6-tetramethyl-5'-oxospiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-yl] acetate
366.40
3.5
0
6
78.9
4
(1R,4aR,4bS,6R,7R,10aR)-6,7-dihydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
336.50
3
3
4
77.76
2
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