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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
6-Oxotingenol
436.60
6
2
4
74.6
0
Marchantinquinone
438.50
5.5
1
5
72.83
0
CID 10410865
438.50
-2.7
3
9
186.05
0
(2S)-5,7-dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one
438.50
6.1
3
6
96.22
7
Betulone
440.70
8
1
2
37.3
2
(5R,8R,10R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
442.70
8.2
1
2
37.3
4
Rhinacanthin F
444.40
3.5
0
9
98.75
10
(6R)-3,5-dihydroxy-4-[[(1S,2R,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-6-methyl-2-[(2S)-2-methylbutanoyl]-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
444.60
5.6
3
5
94.83
8
(1S,2S,4S,5'R,6R,7S,8R,9S,13S,15R,16R,18S)-15,16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-11-ene-6,2'-oxane]-10-one
444.60
3.5
2
5
75.99
0
[(1R,5aR,7R,8R,9aS,9bR)-1-hydroxy-6,6,9a-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran-7-yl] (Z)-2-methylpent-2-enoate
446.60
4.6
1
6
82.06
7
Orcinol gentiobioside
448.40
-2.4
8
12
198.76
6
Isochamuvaritin
452.50
6.4
3
5
86.99
6
14-methoxy-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one
455.40
1.2
4
9
138.15
3
methyl (1S,3R,3aS,8aR)-3-(2-methoxy-2-oxoethyl)-8a-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,3a,4,7,8-hexahydro-1H-azulene-6-carboxylate
458.50
0.2
4
10
151.98
8
(1S,3R,6S,7S,8S,11S,12S,15R,16R)-15-[(2R,4S,5S)-5-hydroperoxy-4-hydroxy-6-methylhept-6-en-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
460.70
7.3
3
4
69.92
6
[(1S,2R,3S)-1,2-diacetyloxy-1-[(2R,3S)-3-acetyloxy-6-oxo-2,3-dihydropyran-2-yl]heptan-3-yl] 2-chloroacetate
462.90
2.5
0
10
131.5
15
(2S)-eriodictoyl-7-O-beta-D-glucopyranosiduronic acid
464.40
0.5
7
12
203.44
4
NCGC00169506-02_C30H48O4_(2alpha,3beta,5xi,9xi,13xi,18xi)-2,3-Dihydroxylup-20(29)-en-28-oic acid
472.70
7.2
3
4
77.76
2
Dawoensin A
476.60
2.6
1
8
116.2
6
1,9,13-Trimeth yl-8-tridecyl-1,5,9,13-tetraazacycloheptadecan-6-one
480.80
7.5
1
4
38.82
12
4-Hydroxybutanoic acid
104.10
-0.6
2
3
57.53
3
(1S,3R,6S,8R,12R,15R,16R,18S)-15-[(2R)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-oxobutan-2-yl]-6,18-dihydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-en-14-one
484.70
3.3
2
5
87.13
4
Gemichalcone B
486.50
6.2
4
7
124.29
10
Nyssoside
490.40
0.2
4
13
187.49
4
1-Palmitoyl-galactosylglycerol
492.60
4.5
5
9
145.91
21
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