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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
4-Phenylpyridine
155.20
2.6
0
1
12.89
1
2-Ethylnaphthalene
156.22
4.4
0
0
0
1
(12S,13S)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaene
384.40
5
0
6
55.38
2
Palustradienol
288.50
4.6
1
1
20.23
2
Methyl maslinate
486.70
6.8
2
4
66.76
2
methyl (4aS,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
486.70
6.8
2
4
66.76
2
Jacarandic acid
488.70
5
4
5
97.99
1
2-Methyladamantane
150.26
4.1
0
0
0
0
Isopropyl benzoate
164.20
3.2
0
2
26.3
3
Cyclo(L-Pro-L-Ile)
210.27
1.1
1
2
49.41
2
O-methylpisiferic acid
330.50
5.6
1
3
46.53
3
1,3,5-Trimethyladamantane
178.31
5
0
0
0
0
2,3,3-Trimethyl-1,4-pentadiene
110.20
3.6
0
0
0
2
CID 13657696
642.60
-1.3
6
16
245.04
7
4-Methyl-3-penten-1-ol
100.16
1.5
1
1
20.23
2
5-Undecene
154.29
5.2
0
0
0
7
2-Methyl-4-allyl-phenol
148.20
3
1
1
20.23
2
1-Methyladamantane
150.26
4.2
0
0
0
0
1,8-Dimethoxy-3-methylnaphthalene
202.25
3.5
0
2
18.46
2
2,2,4,4,6,6-Hexamethylcyclohexane-1,3,5-trione
210.27
2.6
0
3
51.21
0
2-(Methoxymethoxy)-2-phenylacetaldehyde
180.20
1.3
0
3
35.53
5
1'-Acetonaphthone
170.21
2.9
0
1
17.07
1
6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinolin-8-ol
221.25
1.2
1
4
51.05
2
1-(1,3-Benzodioxol-5-ylmethyl)-7-methoxyisoquinolin-6-ol
309.30
3.5
1
5
60.81
3
4a-Methyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone
164.24
2.4
0
1
17.07
0
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