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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
(4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-5,8a,9,10-tetrahydrophenanthren-3-ol
284.40
6.2
1
1
20.23
1
11-Apollanol
222.37
4.3
1
1
20.23
0
Methyl (5Z)-5-ethylidene-4-(2-methoxy-2-oxoethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
418.40
-1.7
4
11
161.21
8
Oleoside dimethyl ester
418.40
-1.7
4
11
161.21
8
Callitrin
234.33
4.2
0
2
26.3
2
Igalan
232.32
4.1
0
2
26.3
2
Ifasgtowhlmhez-uktarxlssa-
232.32
4.1
0
2
26.3
2
6-ethenyl-7a-hydroxy-3,6-dimethyl-5-prop-1-en-2-yl-5,7-dihydro-4H-1-benzofuran-2-one
248.32
2.8
1
3
46.53
2
Hydroxyisogermafurenolide
248.32
2.8
1
3
46.53
2
(9S,9aS)-3,5,5,9-tetramethyl-1,6,7,8,9,9a-hexahydrobenzo[7]annulene
204.35
4.8
0
0
0
0
10s,11s-Himachala-3(12),4-diene
204.35
5
0
0
0
0
(1R,4aR,8aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,8a-hexahydronaphthalen-1-ol
222.37
3.6
1
1
20.23
1
(1Z,6E)-gamma-humulene
204.35
5
0
0
0
0
(3S,8aR)-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,6,7,8-hexahydronaphthalene
204.35
5
0
0
0
1
[6-[[3,4-Dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-(3,4,5-trihydroxyoxan-2-yl)oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1075.20
-0.9
13
22
353.9
12
gamma-Calacorene
200.32
4.4
0
0
0
1
alpha-Humulene epoxide
220.35
3.9
0
1
12.53
0
1-[(1S,3aR,7S,7aR)-4-methylidene-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone
220.35
3.5
0
1
17.07
2
beta-Oplopenone
220.35
3.5
0
1
17.07
2
Isospathulenol
220.35
2.6
1
1
20.23
0
1,5-Dihydroxy-3-methoxy-10-methylacridin-9-one
271.27
2.9
2
5
71.69
1
Piperolactam D
295.29
2.9
2
4
67.79
2
N-[1-[6-(dimethylamino)-7,7,12,16-tetramethyl-15-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dienyl]ethyl]-N-methylformamide
426.70
5.8
0
2
23.55
3
(4,18-Diacetyloxy-7-formyl-16-hydroxy-7,10-dimethyl-15-methylidene-13-oxo-10-azahexacyclo[7.7.1.12,14.01,12.03,8.03,11]octadecan-5-yl) benzoate
577.60
1.2
1
10
136.51
8
4,5-Dihydro-furo[3,4-d][1,3]thiazin-7-one
157.19
0.3
1
4
63.63
0
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