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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
(4aS,6aR,6aR,6bR,8aS,12S,12aR,14aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picene
410.70
10.4
0
0
0
0
(3S,4aR,6aR,6aR,6bR,8aS,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-ol
426.70
8.9
1
1
20.23
0
(-)-Phanostenine
325.40
2.9
1
5
51.16
1
(R)-(+)-4-Isopropylcyclohex-1-ene-1-carboxaldehyde
152.23
2.7
0
1
17.07
2
Phaseolus e
526.50
-2.3
7
12
203.44
4
Phaseolus epsilon
526.50
-2.3
7
12
203.44
4
5-hydroxy-7-methoxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
446.40
0.3
5
10
159.05
5
(3S,3aS,6S,6aR)-3,6-bis(1,3-benzodioxol-5-yl)-3-methoxy-1,4,6,6a-tetrahydrofuro[3,4-c]furan-3a-ol
400.40
1.4
1
8
84.84
3
Arborinol
426.70
9
1
1
20.23
1
Fernenol
426.70
9
1
1
20.23
1
Isoarborinol
426.70
9
1
1
20.23
1
Aborenone
424.70
8.7
0
1
17.07
1
(3R,3aR,5aR,5bR,7aR,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-2,3,4,5,5b,6,7,7a,10,11,13,13b-dodecahydro-1H-cyclopenta[a]chrysen-9-one
424.70
8.7
0
1
17.07
1
(3aR,5aS,9bS)-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
232.32
3.1
0
2
26.3
0
5,7-Dihydroxy-2-[4-(3-methylbut-2-enoxy)phenyl]chroman-4-one
340.40
4.2
2
5
75.99
4
CID 12305204
262.30
1.1
1
4
63.6
0
Raumitorine
382.50
2.7
1
5
63.79
3
(+)-Aristolone
218.33
3.6
0
1
17.07
0
Bayogenin
488.70
5.8
4
5
97.99
2
(4aS,6aR,6aS,6bR,8aR,9S,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
488.70
5.8
4
5
97.99
2
(1aR,4aR,7R,7aS,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
204.35
4.7
0
0
0
0
Alloaromadendrene
204.35
4.7
0
0
0
0
Pseudocarpaine
478.70
6.3
2
6
76.66
0
Carpamsaure
257.37
0.1
3
4
69.56
8
5-hydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexa-3,5-diene-1,2-dione
448.40
-0.5
6
11
191.05
6
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