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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -1.96
Van der Waals volume 582.08
Polar Surface Area 245.04
Van der Waals Surface Area 884.84
Refractivity 158.23

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ELEMENTAL PROPERTIESExact Mass 680.232
Isotope Formula C32H40O16
Dot Disconnected Formula C32H40O16
Dot Disconnected Isotope Formula C32H40O16
Composition C (56.47%), H (5.92%), O (37.61%)
Isotope Composition C (56.47%), H (5.92%), O (37.61%)
Donor Sites 6
Donor Count 6
Acceptor Sites 17
Acceptor Count 13


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TOPOLOGICAL PROPERTIESAtom Count88
Aliphatic Atom Count 48
Aliphatic Bond Count 53
Aromatic Bond Count 0
Asymmetric Atom Count 14
Bond Count 93
Chain Atom Count 23
Chain Bond Count 24
Chiral Center Count 14
Ring Atom Count 25
Ring Bond Count 29
Rotatable Bond Count 8
Stereo Double Bond Count 0
Aliphatic Ring Count 6
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 1

 






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