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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
3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
578.50
0.1
8
14
228.97
5
2-Methylbenzaldehyde
120.15
2.1
0
1
17.07
1
calyxin L
582.60
6
5
8
136.68
10
(2S,8R,10R)-10-[(2S)-2-hydroxy-4-(4-hydroxyphenyl)butyl]-2,8-bis(4-hydroxyphenyl)-5-methoxy-3,8,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-4-one
582.60
5.5
4
8
125.68
8
(1S,3S,5S,6R,7S,9S,11R)-9-benzoyl-11-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-4,4,8,8-tetramethyl-3-prop-1-en-2-yltetracyclo[7.3.1.17,11.01,6]tetradecane-10,12,13-trione
584.80
8.6
1
5
88.51
8
cis-Goniothalamicin
596.90
8.8
4
7
116.45
26
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1R,3S)-10-hydroxy-9-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
598.60
-1
8
14
217.22
7
(1R,3R,10S,15S,16R,18R,25S,30S)-10,14,14,25,29,29-hexamethyl-6,21-di(propan-2-yl)-2,17-dioxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-4,6,8,19,21,23-hexaene-7,22-diol
600.90
10.9
2
4
58.92
2
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-2-(4-acetylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate
610.60
-0.5
6
15
220.13
12
Anmontanin B
610.90
6.7
4
8
133.52
26
Asiminecin
622.90
9.3
3
7
105.45
25
27-Hydroxybullatacin
638.90
8.2
4
8
125.68
25
Cryptophycin-18
639.20
7.1
2
7
120.03
8
(2S,3R,4S,5S,6R)-2-[(2S,3S,4R,6R)-6-[(1S)-1-[(1S,3R,8S,9S,10R,13S,14S,17R)-1,3-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-3,4-dihydroxy-3,4-dimethyloxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
640.80
1.7
8
11
189.53
5
Cryptophycin 49
641.10
5.7
2
8
132.56
8
(E)-1-[3-[(1S,5S,6R)-6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
662.70
8.2
7
9
175.75
9
[(1S,5R,6R,13R,21S)-6,9,17,19-tetrahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-21-yl] 4-hydroxybenzoate
664.60
5
7
12
195.6
5
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] (1S,2R,3S,4S,5R,9S,10S,13S,14S)-2,3,13-trihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
692.70
-1.9
11
16
276.52
8
Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-I(2)-D-glucopyranosyl-I(2)-D-ribo-hexopyranosyl)oxy]-11,14,19-trihydroxy-, (3I(2),5I(2),11I+/-)-
698.80
-1.5
8
14
225.06
7
2,3-Dimethyl-3-hexanol
130.23
2.4
1
1
20.23
3
(2R)-N-[(E,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
Luteoside C
770.70
-1.4
10
19
293.21
15
1-Tetralone
146.19
2
0
1
17.07
0
Esculentoside C
811.00
1.8
8
15
242.13
9
[(2R,3R,4S,5S)-5-[(2R,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-5-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
822.80
2.5
7
18
274.5
19
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