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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
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[3-[4-[3-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]propylamino]butylamino]propyl]prop-2-enamide
554.70
2.8
6
8
141.18
19
methyl (1S,4aR,5S)-5-[(3R)-5-hydroxy-3-methylpentyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
336.50
5.2
1
3
46.53
7
1,3,9-Trihydroxy-2-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one
352.30
4.3
3
6
104.04
2
[(3aR,4R,6E,9S,10Z,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-(hydroxymethyl)but-2-enoate
404.50
1.8
1
7
99.13
6
[(3aR,4R,6E,9S,10Z,11aR)-9-acetyloxy-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-(hydroxymethyl)but-2-enoate
420.50
0.6
2
8
119.36
7
[(3aR,4R,6E,9S,10Z,11aR)-9-acetyloxy-10-(acetyloxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate
462.50
1.2
1
9
125.43
9
(2-Methoxy-6,6-dimethylbenzo[c]chromen-9-yl)methanol
270.32
2.8
1
3
38.69
2
2-Methoxy-6,6-dimethylbenzo[c]chromene-9-carbaldehyde
268.31
3.1
0
3
35.53
2
(2R,3R)-2-ethenyl-3-[(E)-non-1-en-3,5,7-triynyl]oxirane
182.22
2.6
0
1
12.53
4
[(2R,3R,4S,5S)-5-[(2R,3R,4S,5R,6R)-4-acetyloxy-6-(acetyloxymethyl)-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-5-(hydroxymethyl)oxolan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
778.70
0.2
6
19
272.73
19
[(2R,3R,4S,5S)-5-[(2R,3R,4S,5S,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-hydroxyoxan-2-yl]oxy-3-hydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-5-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxolan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
996.90
3
5
23
314.33
26
[(2S,3S,4R,5R)-2-[(2R,3R,4S,5S,6R)-3,5-diacetyloxy-6-(acetyloxymethyl)-4-hydroxyoxan-2-yl]oxy-4-hydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-5-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
966.90
3
5
22
305.1
25
3,5-Dioxa-11-azahexacyclo[9.9.2.02,6.08,21.014,22.015,20]docosa-1(21),2(6),7,9,14(22),15,17,19-octaene-12,13-dione
315.30
3.3
0
4
57.53
0
Methyl 2-methoxy-5-(4-methoxycarbonylphenoxy)benzoate
316.30
3.4
0
6
71.06
7
3-(4-hydroxy-3,5-dimethoxyphenyl)propyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
388.40
3.7
2
7
94.45
10
3-(4-hydroxy-3-methoxyphenyl)propyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
358.40
3.7
2
6
85.22
9
9-Methoxy-5-methyl-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one
264.28
2.8
0
3
43.6
1
3-Ethyl-13-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
278.30
3.2
0
3
43.6
2
Bicuculline
367.40
2.6
0
7
66.46
1
Kinobeon A
356.40
3.2
0
6
71.06
6
Eriodictyol-6-glucoside
450.40
-0.4
8
11
197.37
3
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate
340.32
-0.3
4
8
125.68
6
[(2R,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
504.40
0.9
5
12
185.35
7
(1S,2S,5S,8S,9R,11R,15S,16S,18R)-15,18-dihydroxy-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
362.50
1.8
2
5
75.99
1
[(E)-1-cyano-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
437.40
-0.4
5
11
178.93
9
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