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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
(4S,5S)-5-[(1R,2R)-2-hydroxy-2-methyl-5-oxocyclopent-3-en-1-yl]-3-methylidene-4-(3-oxobutyl)oxolan-2-one
278.30
0
1
5
80.67
4
Isosecotanapartholide
278.30
-0.5
1
5
80.67
4
2-Oxo-kolavenic acid
318.40
4.8
1
3
54.37
4
5-(1,2,4a,5-Tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)-3-methylpentanoic acid
306.50
6.1
1
2
37.3
5
(3S,6aS,6aS,6bR,8aS,11R,12aR,14aR,14bS)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14a-heptamethyl-1,2,3,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-ol
442.70
7.6
2
2
40.46
1
2-Methyl-3-Oxy-5-Methoxy-p-Chinon
168.15
0.4
1
4
63.6
1
(4aR,5S,8aR)-1,1,4a-trimethyl-6-methylidene-5-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydronaphthalen-2-one
286.50
5.3
0
1
17.07
3
(2S,4aR,5S,8aR)-1,1,4a-trimethyl-6-methylidene-5-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol
288.50
5.7
1
1
20.23
3
(2R,4aR,5S,8aR)-1,1,4a-trimethyl-6-methylidene-5-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol
288.50
5.7
1
1
20.23
3
(Z)-p-Menth-2-en-1-ol
154.25
2.3
1
1
20.23
1
Cedranyl acetate
264.40
4.5
0
2
26.3
2
(1R,2R,5S,7R,8R)-8-hydroxy-6,6,8-trimethyltricyclo[5.3.1.01,5]undecane-2-carboxylic acid
252.35
2.4
2
3
57.53
1
[(1S,2S,3S,4S,5R,6S,8S,9S,13S,16S,17S)-11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-aminobenzoate
542.70
1.7
3
9
123.71
7
(3s,4s,6r)-3,6-Dihydroxy-1-menthene
170.25
1
2
2
40.46
1
(1R,15R,18R,19R)-17-methoxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,16-tetraen-18-ol
301.34
1.1
1
5
51.16
1
[1-(1-acetyloxyethyl)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate
390.50
4.1
0
5
69.67
8
Tussilagone
390.50
4.1
0
5
69.67
8
Tussilagonone
330.50
4.5
0
3
43.37
5
Tussilogonone
330.50
4.5
0
3
43.37
5
[(1S,1'S,3'R,5R,6S,7S,9S)-7-hydroxy-3'-(hydroxymethyl)-4',4'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl] acetate
406.50
1.6
2
7
110.13
3
(1R,2R,4S,9R,10S,13S,14R,16R)-2,16-dihydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecane-6,15-dione
334.40
1.8
2
4
74.6
0
CID 13919535
646.80
4.8
5
10
170.82
5
[(2S,3R,4S,5S,6R)-5-[(2S,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-[[(2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxymethyl]oxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-6-[[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1899.00
-3.8
22
43
671.28
32
5,7,7,11-Tetramethyltricyclo[6.3.0.01,5]undec-2-ene
204.35
5.2
0
0
0
0
Edelfosine
523.70
7.6
0
6
86.86
27
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