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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
[(1R,2R,4S,6S,9S,10S,11S,13S,14S)-2,11-dihydroxy-14-(methoxymethyl)-5,5,9-trimethyl-3,15-dioxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
422.50
1
2
7
110.13
4
Durantin A
428.40
2.7
1
9
113.66
6
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,4-dimethoxyphenoxy)oxane-3,4,5-triol
448.40
-2.1
6
12
176.76
8
(2R,3S,4S,5R,6S)-2-[[(2R,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(1S)-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl]oxyoxane-3,4,5-triol
448.50
-1.2
6
10
158.3
7
C28H23ClO4
458.90
6.9
4
4
80.92
0
luzonoid C
462.50
1.2
4
9
142.75
10
Biatractylolide
462.60
5.1
0
4
52.6
1
[(1R,2S,5S,6S,9S,10R,12S,13R,16S)-16-(dimethylamino)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-10-yl] 4-methylpent-3-enoate
468.70
5.9
0
4
32.78
5
Unii-6PM4une85T
477.50
1.3
4
9
176.29
0
Stachyanthuside A
478.40
-0.4
6
13
209.49
4
2-Methylbutyl nonanoate
228.37
5.3
0
2
26.3
11
[(3S,4R,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-3-[[(E)-2-methylbut-2-enoyl]amino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
486.70
6.5
1
4
58.64
6
(2Z)-2-[3-[(2E)-2-(3-oxo-1H-indol-2-ylidene)indol-3-yl]indol-2-ylidene]-1H-indol-3-one
490.50
4.4
2
6
82.92
1
Aphelandrine
492.60
1.5
4
6
102.93
1
[(1S,4R,5R,6S)-5-(1,3-benzodioxol-5-yl)-4-pentyl-6-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone
494.70
5.8
0
4
59.08
7
Viticosterone E
522.70
1
5
8
144.52
7
orthosiphonone C
528.60
2.2
3
9
147.43
6
Anhydrolutein-I
550.90
12.2
1
1
20.23
10
Sitostanyl ferulate
592.90
12.4
1
4
55.76
11
(2R)-N-[(Z,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]-2-hydroxyhexadecanamide
732.00
9
8
10
189.17
33
Javanicoside D
740.70
-0.1
7
17
265.27
10
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
754.70
-0.2
8
19
279.05
16
Abt-737
813.40
9
2
10
161.81
15
Marsdenoside A
835.00
4.5
2
14
178.04
14
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S)-2-[(1S,2S,4S,4'S,5'S,6R,7S,8R,9S,12S,13R,14R,16R)-4',16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-5-hydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
857.00
-0.4
9
17
255.91
6
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