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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
Acetylpseudotropine
183.25
1.3
0
3
29.54
2
13,26-Dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.2~11,14~]triacontane-3,16-dione
478.70
6.3
2
6
76.66
0
6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
207.27
1.7
1
3
30.49
2
2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene
200.23
2.5
0
2
18.46
1
7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one
578.50
-0.6
7
14
217.97
8
(1S,2S)-1-Phenyl-1,2-propanediol
152.19
1.1
2
2
40.46
2
Methylallyl hexasulfide
248.50
3.3
0
6
151.8
7
(+)-Epi-Cis-Neoclausenamide
297.30
1.5
2
3
60.77
3
(+)-Epi-Clausenamide
297.30
1.5
2
3
60.77
3
2-Epi-3a-epiburchellin
340.40
3.8
0
5
53.99
4
N-(E)-Caffeoyl-L-tyrosine
343.30
2.1
5
6
127.09
6
1-Propanol
60.10
0.3
1
1
20.23
1
Benzyl-dodecyl-bis(2-hydroxypropyl)azanium
392.60
6.9
2
2
40.46
17
Melarsoprol
398.30
4
9
173.57
4
N-[2-(1H-indol-3-yl)ethyl]docosanamide
482.80
12.4
2
1
44.89
23
(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
552.90
12.3
1
1
20.23
10
Nopinone
138.21
1.6
0
1
17.07
0
(+)-Pelletierine
141.21
0.4
1
2
29.1
2
(S)-3-(Allylthio)-2-aminopropanoic acid
161.22
-2.1
2
4
88.62
5
5-(1-Hydroxy-1-methylethyl)-2-methyl-2-cyclohexen-1-one, (S)-
168.23
1.1
1
2
37.3
1
8-Azabicyclo[3.2.1]octane-1,2,3,4-tetrol, (1R,2R,3R,4S,5R)-
175.18
-2.4
5
5
92.95
0
delta5-Tetrahydrocannabinol, (1S,3R,4R)-
314.50
6.2
1
2
29.46
4
3,4-Dimethoxyphenyl beta-D-glucoside
316.30
-0.5
4
8
117.84
5
Phytocassane A
316.40
3.4
1
3
54.37
1
2(1H)-Quinolinone, 4,7,8-trimethoxy-1-methyl-3-(3-methyl-2-butenyl)-
317.40
3.1
0
4
49.69
5
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