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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
(2S)-4,7-dihydroxy-2-(2-hydroxypropan-2-yl)-6-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-b]xanthen-5-one
396.40
4.7
3
6
100.13
3
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[(1S,2S,4S,6S,10S)-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxane-3,4,5-triol
346.33
-2.2
5
9
141.37
4
(5R)-1-(4-hydroxy-3-methoxyphenyl)-3-oxodecane-5-sulfonic acid
358.50
2.7
2
6
109.28
11
(1R,2R,5S,6R,9S,15S,16S)-6-hydroxy-15-methyl-16-propan-2-yl-3,14-dioxa-11-azapentacyclo[7.5.1.12,5.01,11.06,15]hexadecan-4-one
307.40
1.3
1
5
59
1
2-(4-Hydroxyphenyl)-5-methoxyfuro[2,3-h]chromen-4-one
308.30
3.2
1
5
72.81
2
[(1S,3aR,5R,5aR,8aR,9S,9aS)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate
346.40
2.6
0
5
69.67
3
(1S,2S,11S,13R)-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-5(10),6,8,14(19),15,20-hexaene-1,7-diol
340.40
1.4
2
5
68.15
0
(6R,8S,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
428.70
8
1
2
37.3
6
methyl (1R,4aR,5R,7S,7aR)-4a,5,7-trihydroxy-7-methyl-1-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
422.40
-3.1
7
12
195.6
5
(9S,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4-trien-6-one
242.32
1.2
0
2
25.24
0
(1S,4aS,6S,7S,7aR)-6-acetyloxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
418.40
-1.1
5
11
172.21
6
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
426.70
7.5
1
2
37.3
5
(1S,4aS,5R,7S,7aS)-7-acetyloxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
580.50
-0.1
6
14
218.74
10
(4aR,8S,8aR)-3,8-dimethyl-5-propan-2-ylidene-4a,7,8,8a-tetrahydro-1H-naphthalene-2,6-dione
232.32
2.7
0
2
34.14
0
(1R,4S,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,3,4,4a,5,8a-hexahydronaphthalene-2,6-dione
234.33
2.6
0
2
34.14
1
(4aS,5R,6S,8S,8aR)-6-hydroxy-3,8-dimethyl-5-propan-2-yl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one
236.35
2.9
1
2
37.3
1
(1S,4S,9S,10S,13R,14R)-14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
320.50
3
2
3
57.53
1
Acalyphidin D1
1903.30
-2.3
27
54
889.5
8
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,15R,16R,18S,19R)-15,19-dihydroxy-5'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
788.90
-0.8
10
16
257.68
7
S-[2-[3-[[(2R)-4-[[[(2R,3S,4S,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] ethanethioate
809.60
-5.6
9
22
418.36
20
(1S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
498.70
8.8
1
4
63.6
4
[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
624.60
-0.5
9
15
245.29
11
(6R)-3,5,6-trihydroxy-2-[(2R)-2-methylbutanoyl]-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
362.50
4.3
3
5
94.83
7
3,5-dihydroxy-2-[(2R)-2-methylbutanoyl]-4,6,6-tris(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
414.60
6.9
2
4
74.6
9
(1S,3R,5S,8S,9S,12R,13S,14R)-14-hydroxy-13-methyl-14-propan-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione
294.30
0.6
1
6
85.36
1
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