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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
(2R)-5,7-dihydroxy-2-(2-hydroxyphenyl)-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
408.50
6.1
3
5
86.99
6
(1S,4R,7S,10S,13S,16S)-24-Hydroxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
756.80
3
4
9
186.92
3
(1S,4aS,4bS,6R,10aS)-6-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
318.40
3.5
2
3
57.53
2
methyl (2R,3R,4R,5S,6S)-6-[[(3R,4aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate
971.10
3.1
10
19
301.05
11
Ajmalimine
520.60
4
1
8
80.7
7
(R)-4-Hydroxyoxetan-2-one
88.06
-0.7
1
3
46.53
0
(2R)-2-hydroxy-2,6-dimethyl-1-benzofuran-3-one
178.18
1.5
1
3
46.53
0
(4S,4aR,6R,7R,7aS)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol
183.29
1.7
1
2
23.47
0
(1S,2R,4S,5S,6S,10S)-7-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-5,10-diol
184.19
-0.8
2
4
62.22
0
(1R,5R,7R)-7-hydroxy-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-one
166.22
1
1
2
37.3
0
Penstemonoside
390.40
-1.4
5
10
155.14
5
(3aS,6E,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
232.32
2.1
0
2
26.3
0
(1S,11R,12R,13S,15R)-13-methoxy-5,7,21-trioxa-19-azahexacyclo[11.7.1.02,10.04,8.011,15.015,19]henicosa-2,4(8),9-trien-12-ol
331.40
0.8
1
6
60.39
1
Allyl mercaptan
74.15
1.2
1
1
38.8
1
(E)-4-[(1R)-4-methylcyclohex-3-en-1-yl]pent-3-en-2-one
178.27
2.7
0
1
17.07
2
(5R,8S)-3,8-Dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
218.33
4.8
1
1
20.23
1
(5R,8R)-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
218.33
4.8
1
1
20.23
1
(5S,8R)-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
218.33
4.8
1
1
20.23
1
Isosclerone
178.18
1.1
2
3
57.53
0
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 13-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
967.00
-2.8
14
23
374.13
13
Lambertic acid
316.40
5.2
2
3
57.53
2
12-Hydroxydehydroabietic Acid
316.40
5.2
2
3
57.53
2
7beta-Hydroxydehydroabietic acid
316.40
4.3
2
3
57.53
2
7alpha-Hydroxydehydroabieticacid
316.40
4.3
2
3
57.53
2
3-[14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
516.70
3.4
2
7
94.45
4
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