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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
Multiflorenol
426.70
9.2
1
1
20.23
0
Bicyclo[7.2.0]undec-3-en-5-ol, 4,11,11-trimethyl-8-methylene-, (1R,3Z,5S,9S)-rel-
220.35
3.1
1
1
20.23
0
Munetone
416.50
5
0
5
57.9
2
Munitagine
327.40
2.6
2
5
62.16
2
CID 12313004
544.60
5.3
1
7
99.13
5
gamma-Muurolene
204.35
4.3
0
0
0
1
(1R,4aS,8aR)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
204.35
4.3
0
0
0
1
(+)-gamma-Bulgarene
204.35
4.3
0
0
0
1
(4aR,6aR,6bR,8aR,10S,12aR,14aS,14bS)-10-hydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carbaldehyde
440.70
7.8
1
2
37.3
1
[(1R,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
154.25
2.5
1
1
20.23
1
(1S,8R,9S,12S,14R,15S,16R)-8,14,15-trihydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.0^{2,7.0^{12,16]hexadeca-2,6-diene-4,11-dione
364.40
-0.2
3
7
117.2
1
(1S,2S,4R,5S,6R,9S,10R,17R)-5,10-dihydroxy-1,6-dimethyl-12-propan-2-yl-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-11,15-diene-7,14-dione
362.40
-0.2
2
7
109.5
1
Nandinine
325.40
2.8
1
5
51.16
1
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
624.50
-1
9
16
258.43
7
6,7,13,14-Tetramethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
358.30
2.4
0
8
97.34
4
Nataloe-emodin
270.24
2.7
3
5
94.83
0
[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-3-phenyl-N-sulfooxypropanimidothioate
423.50
0.1
5
11
199.79
8
L-hexahomomethionine
233.37
1
1
3
93.07
9
Rhodexoside
698.80
-0.7
8
14
225.06
6
(S)-Neolitsine
323.30
3.1
0
5
40.16
0
(1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-6-yl]-2-O-beta-D-glucopyranosyl-L-arabinitol
580.50
-1.7
10
15
260.2
5
Neopinone
297.30
1.7
0
4
38.77
1
Neopodophyllotoxin
414.40
2.2
1
8
92.68
5
(1S,3aS,5R,5aS,6S,8R,8aS,9aR)-6,8-dihydroxy-5,8a-dimethyl-1-(piperidin-1-ylmethyl)-1,3a,4,5,5a,6,7,8,9,9a-decahydroazuleno[6,5-b]furan-2-one
351.50
2.2
2
5
70
2
(1E,4E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
204.35
4.5
0
0
0
0
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