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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
(11-Ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl)methyl 2-acetamidobenzoate
628.80
1.4
3
10
136.02
10
methyl (1R,11S,12Z,17S)-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
322.40
2.4
1
4
41.57
2
Akuammidine
352.40
1.5
2
4
65.56
3
[4-Hydroxy-6-methyl-8-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoate
480.50
-1
5
11
172.21
7
[(1R,3R,4R,6S,9R)-4-Hydroxy-6-methyl-8-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoate
480.50
-1
5
11
172.21
7
Naphtho(2,3-b)furan-2(3H)-one, 3a,4,4a,8a,9,9a-hexahydro-3,5,8a-trimethyl-, (3S-(3alpha,3abeta,4abeta,8aalpha,9abeta))-
232.32
3.2
0
2
26.3
0
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
492.40
1
6
12
188.51
6
alpha-Alectoronic acid
512.50
5.4
3
9
147.43
13
11-Hydroxy-4,4,8,10,14-pentamethyl-17-(4,5,6-trihydroxy-6-methylheptan-2-yl)-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
490.70
3.8
4
5
97.99
5
Alisol A
490.70
3.8
4
5
97.99
5
Alisol B
472.70
4.8
2
4
70.06
4
(1S,14R,24S)-24-methoxy-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.02,10.04,8.015,23.018,22]pentacosa-2,4(8),9,15(23),16,18(22)-hexaene
369.40
1.9
1
7
67.41
1
(+)-Papaverrubine E
369.40
1.9
1
7
67.41
1
1-Acetoxy-4,6-tetradecadiene-8,10,12-triyne
240.30
3.6
0
2
26.3
8
S-Allyl-L-cysteine sulfoxide
177.22
-3.5
2
5
99.6
5
gamma-Acoradiene
204.35
4.6
0
0
0
0
3-[6-[[3,5-Dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
754.70
-1.7
10
19
297.12
9
(3aS,4S,7R,7aS)-3a,7a-Dimethyl-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoindene
162.27
4.1
0
0
0
0
N,10,13-trimethyl-17-[1-(methylamino)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine
346.60
5.7
2
2
24.06
3
[(1R,4aR,6R,7R,7aR)-6-acetyloxy-1-(3-methylbutanoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methylbutanoate
424.50
2.3
0
8
100.66
11
Diginatigenin
406.50
0.1
4
6
107.22
1
3-[(3S,5R,8R,9S,10S,13R,14S,16S,17S)-14,16-dihydroxy-3-[(2R,3R,4R,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
712.80
-0.3
7
14
214.06
7
Glucodigitoxigenin
536.70
1.6
5
9
145.91
4
Deglucouzarin
536.70
1.6
5
9
145.91
4
(4aS,10aR)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
270.50
7.1
0
0
0
1
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