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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,12S,13S,16R,18S)-5-hydroxy-16,18-dimethyl-2,9-dioxo-17-oxapentacyclo[11.4.1.01,10.03,8.012,16]octadeca-3(8),4,6,10-tetraene-18-carbaldehyde
338.40
1.6
1
5
80.67
1
6alpha-Hydroxycleroda-3,13-dien-16,15-olid-18-oic acid
348.40
3.5
2
5
83.83
4
ludongnin F
362.50
3.4
0
5
61.83
1
ludongnin H
362.50
3.4
0
5
61.83
1
methyl (1S,12S,13R,14S,15E)-15-ethylidene-13-(hydroxymethyl)-17-oxido-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
368.40
1
2
4
85.38
3
rhodomolin B
410.50
-0.1
5
7
127.45
2
Chafuroside A
414.40
1
5
9
149.82
2
Tetrahydrothiophene
88.17
1.4
0
1
25.3
0
Klyxumine B
440.60
2.7
2
7
102.29
5
2,4-Dimethyl-3-pentanone
114.19
1.9
0
1
17.07
2
2-(3,4-dihydroxyphenyl)-5,7-dimethoxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
476.40
0
6
11
179.28
5
2-aminoethyl Acetate
103.12
-0.8
1
3
52.32
3
(1S,2S,5R,6S)-2-(1,3-benzodioxol-5-yl)-6-[(E)-hept-1-enyl]-N-(2-methylpropyl)-5-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
508.70
6.5
1
4
67.87
10
Lanaroflavone
538.50
5.3
5
10
170.8
4
Theograndin II
558.40
0
8
16
279.33
6
Catechin-(3'-O-3''')-afzelechin
562.50
2.1
8
11
189.53
4
Albafuran C
580.60
6
7
9
171.82
5
Phenethyl decanoate
276.40
6.1
0
2
26.3
12
(1R,2S,4S,8R,9S,12S,13R)-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,17-diene-10,16-dione
588.70
1.6
4
9
142.75
7
[(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-8-hydroxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-9-yl] (E)-2-methylbut-2-enoate
750.90
2.5
3
13
171.97
10
(s)-2-Acetoxyundecane
214.34
5
0
2
26.3
10
Javanicoside E
770.80
-0.1
6
18
271.34
12
quercetin 3-O-alpha-(6'''-caffeoylglucosyl-beta-1,2-rhamnoside)
772.70
0.7
11
19
315.96
10
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aS,9S,12aS,14aR,14bR)-8,9-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
1121.30
0.2
15
24
394.36
12
methyl (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9,10-bis[[(Z)-2-methylbut-2-enoyl]oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylate
1139.30
4
10
22
336.58
16
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