NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -1.91
Van der Waals volume 599.96
Polar Surface Area 206.35
Van der Waals Surface Area 955.77
Refractivity 174.2

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ELEMENTAL PROPERTIESExact Mass 675.302
Isotope Formula C34H41N7O8
Dot Disconnected Formula C34H41N7O8
Dot Disconnected Isotope Formula C34H41N7O8
Composition C (60.43%), H (6.12%), N (14.51%), O (18.94%)
Isotope Composition C (60.43%), H (6.12%), N (14.51%), O (18.94%)
Donor Sites 6
Donor Count 6
Acceptor Sites 15
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count90
Aliphatic Atom Count 37
Aliphatic Bond Count 41
Aromatic Bond Count 12
Asymmetric Atom Count 6
Bond Count 94
Chain Atom Count 10
Chain Bond Count 12
Chiral Center Count 6
Ring Atom Count 39
Ring Bond Count 41
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 21
Largest Ring System Size 3
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 1

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.