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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
Olean-18-ene
410.70
10.9
0
0
0
0
(3S,4aR,6aR,6aR,6bR,8aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-ol
426.70
9.4
1
1
20.23
0
4-(Methylsulfinyl)but-3-enylglucosinolate
435.50
-2
5
13
236.07
9
4-Methylsulfinyl-3-butenyl glucosinolate
435.50
-2
5
13
236.07
9
(14R)-Grayanotoxa-10(20),15-diene-3beta,5,6beta,14-tetrol 14-acetate
376.50
1.5
3
5
86.99
2
Grayanotoxin IX
376.50
1.5
3
5
86.99
2
(6Z)-6-[(3,4-dihydroxyphenyl)methylidene]-5-hydroxy-4-(4-hydroxyphenyl)pyran-2,3-dione
340.30
2.2
4
7
124.29
2
(1R,13S,18S)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-ol
271.31
1.8
1
4
41.93
0
Hardwickiic acid
316.40
5.6
1
3
50.44
4
(4aS,5R,6R,8aR)-5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
316.40
5.6
1
3
50.44
4
[(3R,8R,9S,10R,13R,14S,17S)-3-amino-17-[(1S)-1-aminoethyl]-10-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-13-yl]methanol
332.50
2.4
3
3
72.27
2
Holarrhimine
332.50
2.4
3
3
72.27
2
Hollongdione
358.60
5.8
0
2
34.14
1
Helichrysin A
434.40
0
6
10
166.14
4
1-Methylhexahydro-1H-pyrrolizine
125.21
1.7
0
1
3.24
0
1-[(4R,12S,13R,14R,19R,21S)-9,14-dihydroxy-8-methoxy-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-11-yl]ethanone
398.50
0.4
2
6
82.47
1
Heveaflavone
580.50
6
3
10
148.8
6
methyl (1S,17R)-17-(1-hydroxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
354.40
2.4
2
4
65.56
3
Hibiscetin
334.23
1.5
7
9
171.82
1
5-(5-hydroxy-3-methylpentyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
322.50
4.9
2
3
57.53
6
(1S,4Ar,5S,8aR)-5-[(3R)-5-hydroxy-3-methylpentyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
322.50
4.9
2
3
57.53
6
Isabelin
260.28
2
0
4
52.6
0
(1S,5R,6S,8S,9S,10R)-5,6,9-trimethyltetracyclo[7.2.1.01,6.08,10]dodecan-2-one
218.33
3.1
0
1
17.07
0
Agatholal
304.50
4.5
1
2
37.3
5
(2S,6R)-7-methoxy-2,6-bis(prop-1-en-2-yl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole
221.30
2
0
2
28.07
3
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