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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
Broussoaurone A
338.40
4.5
3
5
86.99
3
(2R,3R,4S)-4-(2,4,6-trihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
430.40
1.4
9
10
191.3
2
Brazilane
270.28
2.6
3
4
69.92
0
9,12,13-Trihydroxyoctadec-10-enoic acid
330.50
3.1
4
5
97.99
15
Piperylene
68.12
2.4
0
0
0
1
5-Hydroxypseudobaptigenin
298.25
2.8
2
6
89.13
1
2-Oxobutyl acetate
130.14
0.3
0
3
43.37
4
Pent-2-en-1-ol
86.13
0.9
1
1
20.23
2
Oct-3-enoic acid
142.20
2.3
1
2
37.3
5
1,3,6,7-Tetrahydroxy-8-prenylxanthone
328.30
4
4
6
111.13
2
Pyranojacareubin
392.40
4.7
2
6
89.13
0
(1S,2R,5R,6R,9R,10R,13S,15S)-5-[(2R,5R)-5,6-dimethylheptan-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol
430.70
7.5
1
3
38.69
5
(1S,2R,5R,6R,9R,10R,13S,15S)-5-[(2R,5S)-5,6-dimethylheptan-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol
430.70
7.5
1
3
38.69
5
2-Amino-2-methyl-1,3-propanediol
105.14
-1.8
3
3
66.48
2
(Z)-4-(2-nitrovinyl)phenol
165.15
2.1
1
3
63.37
1
3,4-Difluoro-4'-methoxybiphenyl
220.21
3.7
0
3
9.23
2
(4R)-4-[(1R)-1-hydroxyethyl]-5,5-dimethyloxolan-2-one
158.19
0.4
1
3
46.53
1
1-Allyl-2-methylbenzene
132.20
3.8
0
0
0
2
(2S,3S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
779.00
5.5
7
13
212.67
7
(1R,2R,5S,7R,10S,11S)-5-ethenyl-2,5,11-trimethyl-15-oxatetracyclo[9.3.2.01,10.02,7]hexadecane-8,16-dione
316.40
3.8
0
3
43.37
1
(10R,11R)-10-[(14R,15S,19S)-2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-9,13,25,32-tetraoxaheptacyclo[25.8.0.02,7.015,20.021,30.024,29.028,33]pentatriaconta-1(35),2,4,6,15,17,19,21,23,27,29,33-dodecaene-8,14,26,31-tetrone
1084.70
0.9
18
30
529.76
1
(2S)-5-hydroxy-7-[(1S,2S)-2-hydroxy-2-[(2S)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethoxy]-2-phenyl-2,3-dihydrochromen-4-one
472.50
4.5
2
7
102.29
6
[(10R,11R)-10-[(14R,15S,19R)-2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] 3,4,5-trihydroxy-2-[(7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl)oxy]benzoate
1236.80
2.3
19
34
585.52
6
1-[(3S,8S,10R,11S,12S,13S,14R,17S)-3-[(2R,4R,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,11,12,14,17-pentahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethanone
845.00
-1.1
7
17
241.75
10
[(1S,2Z,5S,9S,10E,14S,15S)-2,11,15-trimethyl-6-methylidene-7-oxo-8,16,17-trioxatricyclo[13.2.2.05,9]nonadeca-2,10-dien-14-yl] acetate
390.50
3
0
6
71.06
2
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