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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
(1S,2R,7R,9S,10R,12S)-2-hydroxy-7-[(1S,2R,7R,9S,10R,12S)-2-hydroxy-4,9-dimethyl-13-methylidene-5-oxo-6-oxatetracyclo[7.4.0.03,7.010,12]tridec-3-en-7-yl]-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]tridec-3-en-5-one
490.60
1.5
2
6
93.06
1
3-[(2R,3R)-5-hydroxy-2,3-dimethyl-8-(3-methylbut-2-enyl)-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-4,7-dioxo-2,3-dihydrochromen-6-yl]hexanoic acid
526.70
7.7
2
6
100.9
12
Munronin B
528.50
1
1
10
137.96
4
1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R)-2-[(4R)-4,5-dihydroxy-4-methylpentyl]-2-hydroxybutanedioate
561.60
-0.2
3
11
144.22
12
Isogarcinol
602.80
8.9
2
6
100.9
8
[(1S,18R,19S,21R,22S)-6,7,12,13,22-pentahydroxy-21-(hydroxymethyl)-3,16-dioxo-2,17,20,23-tetraoxapentacyclo[16.3.1.18,11.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-19-yl] 3,4,5-trihydroxybenzoate
616.40
0.9
9
17
283.34
4
3beta,11alpha-Dihydroxy-12-ursen-3-yl palmitate
681.10
15.8
1
3
46.53
16
(E)-N-[3,4,12-trihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]hexadec-9-enamide
732.00
7.8
8
10
189.17
33
Genistein 7-O-beta-D-glucopyranoside-4'-O-[alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside]
740.70
-2
11
19
308.12
9
Oblonganoside D
748.90
3.4
7
12
195.6
6
2-[2-[2-[2,4-dihydroxy-6-methyl-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-oxoethyl]-6-hydroxy-4-methylphenyl]-7-hydroxy-5-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
770.70
-0.2
12
17
308.5
8
Ydcukuffvmoskz-jniptgctsa-
843.00
2.7
9
15
245.29
12
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(4S,7S,8S,11S)-6-(methylsulfanylcarbonyloxymethyl)-2-oxo-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-8-yl]oxy]oxan-3-yl] (1S,4aS,5S,7aS)-5-hydroxy-7-(methylsulfanylcarbonyloxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
892.90
-3
8
24
373.02
17
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-10-one
1209.30
-4.4
15
28
431.28
14
3-Nitrophenol
139.11
2
1
3
63.37
0
[(3S,8S,9S,10R,13S,14S,16S,17R)-17-acetyl-3-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] (4S)-4-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoate
1225.30
-3.1
15
28
439.12
20
(R)-(-)-2-Hexen-4-olid
112.13
1.1
0
2
26.3
1
(2R,3S)-3-hydroxypyrrolidine-2-carboxylic acid
131.13
-3.2
3
4
69.56
1
methyl (2R,3R)-3-hydroxy-2-methylbutanoate
132.16
0.4
1
3
46.53
3
(Z)-N-(4-Methoxystyryl)formamide
177.20
1.9
1
2
38.33
3
1,3,5-Benzenetricarboxylic acid
210.14
0.5
3
6
111.9
3
Occidentalol
220.35
3.4
1
1
20.23
1
Garjasmin
224.21
-0.2
1
5
64.99
2
e-3-Methylsulfinyl-2-propenyl s-butyl disulfide
224.40
1.7
0
4
86.88
6
2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one
241.20
0
2
6
88.46
2
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