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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
(3S,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-one
354.40
3.7
0
6
63.22
4
3-(1,3-Benzodioxol-5-ylmethyl)-5,7-dihydroxy-6-methyl-4-oxo-2,3-dihydrochromene-8-carbaldehyde
356.30
3.4
2
7
102.29
3
Dihydrosesamin
356.40
2.8
1
6
66.38
4
Pyrrolidine, 1-(1-oxo-2,4-eicosadienyl)-, (E,E)-
361.60
9.2
0
1
20.31
16
(1R,2S,4aR,4bS,7S,8aR,10aR)-3',7-dihydroxy-2,4b,8,8,10a-pentamethylspiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,5'-furan]-2'-one
362.50
4.9
2
4
66.76
0
(E)-4-[(4R)-2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexen-1-yl]but-3-en-2-one
370.40
0
4
7
116.45
5
6,2'-Dihydroxy-5,7,8,6'-tetramethoxyflavone
374.30
2.4
2
8
107.59
5
Benzyl ethyl ether
136.19
2.3
0
1
9.23
3
(4aS,8S,8aS)-4,4,7,8a-tetramethyl-8-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,2,3,4a,5,8-hexahydronaphthalene
410.70
10.8
0
0
0
9
methyl (1S,2S,6Z,10S,11S)-6-butylidene-4-oxo-1-pentanoyl-5-oxatetracyclo[9.2.2.02,10.03,7]pentadeca-3(7),12-diene-13-carboxylate
412.50
4.3
0
5
69.67
8
Citrifolinin b epimer b
418.30
-3.2
5
12
180.2
5
3-[(1S,4aR,5S,6S,8aR)-5-[(2,5-dihydroxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid
428.60
6.9
3
4
77.76
5
(2S,3S,4R,5R)-2,4-dimethyl-3,5-bis(2,4,5-trimethoxyphenyl)oxolane
432.50
4.2
0
7
64.61
8
Adenanthin F
434.50
2
2
7
110.13
4
(1R,5R,8R)-8-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one
436.60
5.3
0
4
52.6
1
(1S,4S,6S,9R,10R,13S,14S,17S)-9-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,14-dimethyl-5,19,20-trioxahexacyclo[11.5.2.01,14.04,6.04,13.06,10]icos-2-en-17-ol
442.60
5.2
1
4
51.22
4
Uvamalol D
446.90
3.3
1
7
99.13
13
3-Butylpyridine
135.21
2.5
0
1
12.89
3
Scorzocreticoside I
448.40
0.8
5
10
155.14
5
Garcimangosone A
460.50
6.6
2
6
89.13
2
Methylacetyleucalyptanoate
510.70
8.1
0
4
52.6
4
[(1S,4aS,5R,7S,7aS)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (Z)-3-(4-methoxyphenyl)prop-2-enoate
524.50
-0.6
6
12
184.6
8
cyclo[N(Me)Ala-Ala-ObPhe(S)-ObPhe(S)-OVal]
552.60
3.7
1
8
128.31
3
Taxumairol V
570.60
-0.3
4
12
186.12
10
3-(Acetylthio)-2-methylfuran
156.20
1.7
0
3
55.51
2
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