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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
Homoflavoyadorinin-B
608.50
-0.1
7
15
227.2
9
Bolegrevilol
440.60
8.5
2
4
66.76
13
Trigraecum
268.26
3.6
1
4
59.67
2
7-(3-Methylbut-2-enoxy)-8-(3-methyl-2-oxo-butyl)chromen-2-one
314.40
4
0
4
56.51
6
(4S,5R,6R)-6-[(E)-but-2-en-2-yl]-4-hydroxy-3,3,5-trimethyloxan-2-one
212.28
2.5
1
3
46.53
1
Turkesterone
496.60
-0.7
7
8
158.68
5
17-[2,6-dihydroxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-2,14-dihydroxy-10,13-dimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
804.90
-2.7
12
17
296.75
11
[(3S,5R,7R,8R,9S,10R,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-7-nitrosooxy-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
517.80
10.3
0
5
64.96
8
[(3aS,3bR,4R,9aR,9bS,11aR)-2-hydroxy-9a,11a-dimethyl-7-oxo-2-[2-[(1S,3R,5R)-5,6,6-trimethyl-1-(2-methylsulfanyl-2-oxoethyl)-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]propanoyl]-3,3a,3b,4,5,9b,10,11-octahydronaphtho[2,1-e][1]benzofuran-4-yl] acetate
646.80
2.8
1
11
159.96
8
Ammiol glucoside
438.40
-0.6
4
11
161.19
6
11-But-3-enyl-7,11-diazatricyclo[7.3.1.02,7]tridec-5-en-4-one
246.35
1.7
0
3
23.55
3
10',22'-dihydroxy-7',18'-dimethyl-19'-(5-oxo-2H-furan-3-yl)spiro[1,3-thiazolidine-2,9'-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane]-14'-carbaldehyde
589.70
1.5
3
10
148.85
2
[(1S,4S,5R,8R,10S,11S,13R,14R,17S,18S,19S)-11-hydroxy-4,5,9,9,13-pentamethyl-22-oxo-19-propan-2-yl-23-oxahexacyclo[15.4.2.01,18.04,17.05,14.08,13]tricosan-10-yl] acetate
514.70
7
1
5
72.83
3
(3aR,4S,6aR,8S,9S,9aR,9bR)-4,8-dihydroxy-9-methyl-3,6-dimethylidene-4,5,6a,7,8,9,9a,9b-octahydro-3aH-azuleno[4,5-b]furan-2-one
264.32
1.1
2
4
66.76
0
Ethyl ethyl-d5 sulfide
95.22
1.9
0
1
25.3
2
[(5R,6R,7S,8R,9R,10R,13S,17R)-7-acetyloxy-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3,16-dioxo-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-6-yl] acetate
508.60
4.4
0
7
99.88
5
[(5R,6R,7S,8R,9R,10S,13S,17R)-7-acetyloxy-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3,16-dioxo-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-6-yl] acetate
508.60
4.4
0
7
99.88
5
methyl 7-[6-(acetyloxymethyl)-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl]-4-(furan-3-yl)-4a,8-dimethyl-2-oxo-4,5,6,7-tetrahydro-1aH-oxireno[2,3-d]isochromene-8-carboxylate
528.60
3.6
0
9
121.64
7
2,9-Dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-3,10-diol
327.40
2.6
2
5
62.16
2
7,8-Dimethoxy-4-methyl-5H-indeno(1,2-b)pyridin-5-one
255.27
2.3
0
4
48.42
2
5,7-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
392.35
-2.9
7
11
186.37
4
(4bS,8aS,9R)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3,9-diol
302.50
5.6
2
2
40.46
1
2H-9,4a-(Epoxymethano)phenanthren-12-one, 1,3,4,9,10,10a-hexahydro-5-hydroxy-6-methoxy-1,1-dimethyl-7-(1-methylethyl)-, (4aR,9S,10aS)-
344.40
4.7
1
4
55.76
2
7,14-Methano-4H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocin-4-one, 2,3,7,7a,8,9,10,11,13,14-decahydro-, (7S-(7alpha,7abeta,14alpha))-
246.35
1.3
0
2
23.55
0
(1R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one
246.35
1.3
0
2
23.55
0
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