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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
1,2-Dimethylnaphthalene
156.22
4.3
0
0
0
0
Blestriarene A
482.50
5.9
4
6
99.38
3
3-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one
490.60
8
4
6
111.13
8
[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5-[(2S,3R,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl benzoate
492.50
0.9
5
11
164.37
9
Ryanodine
493.50
-0.5
7
9
172.7
4
Naphthalene-1,2-diol
160.17
2.2
2
2
40.46
0
[(1S,2R,3R,4S)-2-[(1E,3E)-4-(1,3-benzodioxol-5-yl)buta-1,3-dienyl]-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(piperidine-1-carbonyl)cyclobutyl]-piperidin-1-ylmethanone
596.70
5.7
0
6
77.54
7
Longicalycinin A
611.70
3
5
6
156.94
6
Thiamine diphosphate
425.32
-1.2
4
11
216.83
8
Sapinmusaponin C
801.00
1.8
10
14
239.22
9
4-[(2S,5R,6S)-6-[(2R,5S,6R)-5-(4-hydroxy-3,5-dimethoxyphenyl)-2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-1,4-dioxepan-6-yl]-2-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-1,4-dioxepan-5-yl]-2,6-dimethoxyphenol
810.80
3
6
16
213.68
13
[(1S,2S,3R,4S,7R,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
853.90
2.5
4
14
221.29
14
[(1S,3R,6R,7S,8S,9S,10S,11S,14S,16S)-6-acetyl-14-[(2R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-9-(2-methylbutanoyloxy)-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-8-yl] benzoate
857.00
4.9
2
14
178.04
14
(1S,2R,6R,7R,8aR)-7-hydroxy-6-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6S)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-8a-methyl-1-[3-(2-methylfuran-3-yl)-3-oxopropyl]-2,3,5,6,7,8-hexahydro-1H-naphthalene-2-carboxylic acid
957.10
1
6
20
270.19
17
[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl] (2S,3R,6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethylheptanoate
1565.60
-6
23
38
611.58
27
Viburnitol
164.16
-2.7
5
5
101.15
0
2-[(5R)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol
170.25
1.4
1
2
29.46
2
(2R)-4-[(Z)-hex-1-enyl]-2-methyl-2H-furan-5-one
180.24
3.2
0
2
26.3
4
(4S)-3,3,4-trimethyl-4-(4-methylphenyl)cyclopentan-1-one
216.32
3.5
0
1
17.07
1
Isodrimeninol
236.35
3.1
1
2
29.46
0
(4R,4aS,6R,8aR)-6-(2-hydroxypropan-2-yl)-4,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
238.37
2.6
1
2
37.3
1
Benzyl 2,5-dihydroxybenzoate
244.24
3.1
2
4
66.76
4
8-hydroxy-10H-furo[3,2-a]carbazole-4-carbaldehyde
251.24
2.9
2
3
66.23
1
(Z)-1-[(2S)-2-(2-oxopropyl)pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
257.33
2
0
2
37.38
4
Sclarene
272.50
7.5
0
0
0
4
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