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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
5-(2-(3-Hydroxy-4-methoxyphenyl)ethyl)benzene-1,3-diol
260.28
2.4
3
4
69.92
4
Trimethylamine
59.11
0.3
0
1
3.24
0
3'-Methoxyacetophenone
150.17
1.8
0
2
26.3
2
[(2R)-3-methyl-5-oxo-2H-furan-2-yl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate
274.27
1.8
1
5
72.83
5
(6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaene
284.50
7.4
0
0
0
13
(2Z,4E)-5-[(1R,1aR,4aS,7R,7aS,7bS)-7-hydroxy-1,7-dimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-1-yl]-2-methylpenta-2,4-dienal
300.40
3.5
1
2
37.3
3
(4aS,4bR,7S,10aS)-7-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-9-one
304.50
4.6
1
2
37.3
1
3-Methoxybenzoic acid
152.15
2
1
3
46.53
2
1,4-Dimethoxy-2,3-methylene-dioxyanthraquinone
312.27
2.6
0
6
71.06
2
Ophioglonin
314.25
2.1
4
7
120.36
0
(14S)-2,11,11-trimethyl-7-propan-2-yl-10-oxatricyclo[7.5.1.05,15]pentadeca-1,3,5,7,9(15)-pentaene-8,14-diol
314.40
4.5
2
3
49.69
1
Eriophorin B
328.30
3.3
2
6
89.13
3
(2S,3S,6R)-3-hydroxy-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-9-one
329.30
0.5
1
5
68.23
1
(2R,3R,4S,5S,6R)-2-[(2E,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
332.39
-0.3
5
7
119.61
8
[(1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-13-yl]methanol
338.40
2
1
3
37.63
2
Vitex norditerpenoid 2
348.50
4.4
0
4
52.6
3
[(1S,3S,4aR,5R,7S,7aS)-7-hydroxy-1,3-dimethoxy-7-methyl-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5-yl] 4-hydroxybenzoate
352.40
1.7
2
7
94.45
5
(6aR,11aR)-10-(3-hydroxy-3-methylbutyl)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
356.40
3.2
2
5
68.15
4
Neoeriocitrin
596.50
-0.9
9
15
245.29
6
[(1R,3R,5E,10S)-10-hydroxy-6,10-dimethyl-4,9-dioxo-3-propan-2-ylcyclodec-5-en-1-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate
366.40
1.8
1
6
93.2
4
Terpinolene
136.23
2.8
0
0
0
0
(2S,3S)-2-(1,3-benzodioxol-5-ylmethyl)-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]butane-1,4-diol
388.40
2.9
2
7
86.61
8
[(1S,4R,4aS,6R,7S,8S,8aR)-8-[2-(furan-3-yl)ethyl]-1,6-dihydroxy-7,8-dimethyl-5-oxospiro[1,2,3,6,7,8a-hexahydronaphthalene-4,2'-oxirane]-4a-yl]methyl acetate
406.50
1.5
2
7
109.5
6
Cleomiscosin C
416.40
2.1
2
9
116.82
5
(3S,4S)-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
430.40
3.7
0
8
81.68
8
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