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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)-2alpha-(1,3-Benzodioxol-5-yl)-3,5-dihydro-5alpha-methoxy-3beta-methyl-5-allyl-2H-benzofuran-6-one
340.40
2.9
0
5
53.99
4
(1R,11R,12R,13R,14Z,19S,21S)-11-hydroxy-14-(2-hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6-trien-9-one
352.40
0.9
2
4
64.01
1
(3S,5R,10S,13R,14R,17R)-17-[(2S)-1-hydroxypropan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
374.60
5.7
2
2
40.46
2
(1S,4S,5R,9S,10S,13R)-5,9,14-trimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid
302.50
5.4
1
2
37.3
1
Marmelolactone A
166.22
2.7
0
2
26.3
2
Marmelolactone B
166.22
2.7
0
2
26.3
2
[(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] (2R)-2-methyloxirane-2-carboxylate
398.80
0.6
2
7
105.59
4
[(3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] (2S)-2-methyloxirane-2-carboxylate
398.80
0.6
2
7
105.59
4
2-(3,4-Dihydroxyphenyl)-8-hydroxy-11-methoxynaphtho[2,1-f]chromen-9-one
400.40
2.2
3
6
100.13
2
(1S,4aS,6R,7R,7aS)-6-(3-hydroxybenzoyl)oxy-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
496.50
0.2
6
12
192.44
7
(3S,3aS,6E,9S,10Z,11aS)-6-(hydroxymethyl)-3,10-dimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
428.50
-1
5
9
145.91
4
(4S,8S,10S)-16-acetyl-2,12-dihydroxy-10-methyl-5,9-dioxapentacyclo[11.8.0.03,11.04,8.015,20]henicosa-1,3(11),12,15(20),16,18-hexaene-6,14,21-trione
408.40
2.3
2
8
127.2
1
8-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-11-methoxynaphtho[2,1-f]chromen-9-one
414.40
2.5
2
6
89.13
3
Bacillosporin C
490.40
3.2
4
10
159.82
0
(3,17,18-Trimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,13,15,17,19-octaen-19-yl)methanol
396.40
2.7
1
6
70.26
4
(1S,4R,9R,10R,12R,13R,14S)-5,5,9,13-tetramethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane
272.50
7.1
0
0
0
0
(5R,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-17-[(E,2R)-5-methylhept-5-en-2-yl]-1,2,3,5,6,7,8,9,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-one
458.70
7.2
2
3
57.53
4
(1R,4E,6R,7R,11E)-4-ethylidene-7-hydroxy-6,7,14-trimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
365.40
1.4
1
7
93.14
0
[(1S,2R,4S,7S,8S,10S,11R,12R,17R,18R,19S)-18,19-diacetyloxy-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-en-10-yl] acetate
598.60
3.2
0
11
147.94
7
CID 101286196
246.30
2.5
0
3
42.74
0
(1S,4S,6S,9S,10R,14S)-6-ethenyl-6,9,14-trimethyltetracyclo[8.5.0.01,14.04,9]pentadecane
272.50
7.6
0
0
0
1
[(8Z)-3,8-dimethyl-12-methylidene-13-oxo-4,14-dioxatricyclo[9.3.0.03,5]tetradec-8-en-10-yl] (E)-2-methylbut-2-enoate
346.40
3
0
5
65.13
3
(1R,2S,6R,7R,10S,12S,13S)-6-(hydroxymethyl)-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol
306.50
4.3
2
2
40.46
1
Imicro-Muurolene
204.35
4.5
0
0
0
1
(1R,2S,4R,6R,7R,10S,11S,14S,16S)-14,16-dihydroxy-7-methyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane-11-carbaldehyde
414.50
1.7
2
6
100.27
2
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