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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
2-(4,7-Dihydroxy-2-methoxy-9,10-dihydrophenanthren-1-yl)-7-methoxy-9,10-dihydrophenanthrene-3,5-diol
482.50
5.9
4
6
99.38
3
(3R,4S)-3-methoxy-4-methylsulfanylpiperidine-2-thione
191.30
0.9
1
3
78.65
2
5-methyl-3-[(1R)-1,2,2-trimethylcyclopentyl]benzene-1,2-diol
234.33
4.8
2
2
40.46
1
6-Hydroxy-3-methyl-8-(2-phenylethyl)-2,5-dihydro-1-benzoxepine-7-carboxylic acid
324.40
4.4
2
4
66.76
4
15Epsillon-hydroxypinusolidic acid
348.40
3.6
2
5
83.83
4
methyl (1S,4aR,5S,8aR)-5-[(3R)-3-hydroxy-3-methylpent-4-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
334.50
4.6
1
3
46.53
6
Momordicin I
472.70
5.3
3
4
77.76
5
3-hydroxy-17-[(E)-6-hydroxy-6-methylhept-4-en-2-yl]-4,4,13,14-tetramethyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
634.80
3.1
6
9
156.91
8
[(2Z,4R,8R,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (E)-2-methylbut-2-enoate
374.40
1.2
1
7
99.13
4
[(2Z,4S,8R,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate
374.40
1.2
1
7
99.13
4
[(2Z,4R,8R,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] 2-methylpropanoate
362.40
1
1
7
99.13
4
(1S,2S,5S,6S,12R)-5,14-dimethyl-3,11-dioxatetracyclo[7.5.1.02,6.012,15]pentadeca-9(15),13-diene-4,10-dione
260.28
1.2
0
4
52.6
0
methyl (3R,4aS,5R,6R,8aR)-5-[2-(furan-3-yl)ethyl]-3-hydroxy-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate
346.50
4.7
1
4
59.67
5
6-[[8a-Carboxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
648.80
4.9
6
10
173.98
5
4,9-dihydroxy-3,3-dimethyl-7-propan-2-yl-2H-phenalen-1-one
284.30
4.8
2
3
57.53
1
Stigmasterone
410.70
8.2
0
1
17.07
5
(4S)-16-hydroxy-14-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one
292.40
5.3
1
4
55.76
1
5-Methylmellein
192.21
2.8
1
3
46.53
0
5-Hydroxymethylmellein
208.21
1.6
2
4
66.76
1
(1R,2R,4S,5R,6R,12R,13R)-4,5,12,13-tetrahydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecan-9-one
300.35
-0.8
4
6
107.22
0
(1R,2R,4S,5R,6S,13R)-4,5,13-trihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione
298.33
-0.8
3
6
104.06
0
(4bS,8R,8aR)-8-(hydroxymethyl)-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
260.40
4.2
2
2
40.46
1
6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-8-methoxy-2,7-dimethylbenzo[g]chromen-4-one
580.50
-0.2
7
14
217.97
7
5-hydroxy-8-methoxy-2,7-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzo[g]chromen-4-one
448.40
1.5
5
10
159.05
4
2,3,5,5-Tetramethyl-4-methylene-2-cyclopenten-1-one
138.21
1.8
0
1
17.07
0
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