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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
(4R)-3,5,5-trimethyl-4-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one
206.28
1.6
0
2
34.14
2
(4S)-3,5,5-trimethyl-4-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one
206.28
1.6
0
2
34.14
2
(Z)-3-(3,4-dihydroxyphenyl)prop-2-enal
164.16
1.1
2
3
57.53
2
5-Methoxy-2,8,8-trimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one
274.31
2.9
0
4
48.67
1
[(3S,4aR,6aR,6aS,8aR,12aS,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] acetate
468.80
9.9
0
2
26.3
2
24-Methylenecycloartanol acetate
482.80
10.9
0
2
26.3
7
3-Methyl-2-(2-methylpropyl)furan
138.21
3
0
1
13.14
2
(+)-Mayurone
206.32
3.6
0
1
17.07
0
Zijinlongine
383.40
2.1
1
7
69.62
2
8-Pentadecanone
226.40
6.2
0
1
17.07
12
Diethyl glutarate
188.22
1
0
4
52.6
8
(1S,2R,4aS,6aS,6aS,6bR,8aR,12aR,14bR)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
454.70
7
1
3
54.37
1
Gal(a1-4)a-Ido
342.30
-4.7
8
11
189.53
4
(3S)-3,5,7-trihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
482.40
2.4
5
10
155.14
4
(3R,4R,4aR,5R,6aR,6aS,6bR,9S,10S,12aR,14bR)-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol
506.70
4
6
6
121.38
2
9-[(2R)-2-hydroxy-3-methylbut-3-enoxy]furo[3,2-g]chromen-7-one
286.28
2.5
1
5
72.81
4
methyl (1R,9S,11S,14E,15S,17S,19R)-19-(acetyloxymethyl)-14-ethylidene-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
410.50
1.8
1
7
77.1
5
methyl (1S,10S,12S,13E,18R)-13-ethylidene-18-[(3,4,5-trimethoxybenzoyl)oxymethyl]-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6,8-tetraene-18-carboxylate
546.60
3
0
9
95.89
9
(1S,2R,3R,9R,10S,17S)-2-(3,5-dihydroxyphenyl)-3,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol
680.70
6.8
8
9
171.07
4
Petunidin 3-O-arabinoside
484.80
7
11
180.6
5
9-Oxo-10,11-dehydroageraphorone
232.32
2.7
0
2
34.14
0
rel-(1S,2S,4S,5S)-4-(7-Methoxy-2-oxo-2H-chromen-6-yl)-1-methyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl acetate
332.30
1.3
0
7
87.5
4
8-methoxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
460.40
1
4
10
148.05
6
(2R,3R)-3,5,7-trihydroxy-6-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
340.40
4.1
3
5
86.99
3
Aglain C
630.70
4.2
3
8
126.79
9
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