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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.59
Van der Waals volume 960.94
Polar Surface Area 313.44
Van der Waals Surface Area 1527.12
Refractivity 250.04

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ELEMENTAL PROPERTIESExact Mass 1028.56
Isotope Formula C52H84O20
Dot Disconnected Formula C52H84O20
Dot Disconnected Isotope Formula C52H84O20
Composition C (60.68%), H (8.23%), O (31.09%)
Isotope Composition C (60.68%), H (8.23%), O (31.09%)
Donor Sites 11
Donor Count 11
Acceptor Sites 21
Acceptor Count 20


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TOPOLOGICAL PROPERTIESAtom Count156
Aliphatic Atom Count 72
Aliphatic Bond Count 80
Aromatic Bond Count 0
Asymmetric Atom Count 27
Bond Count 164
Chain Atom Count 26
Chain Bond Count 30
Chiral Center Count 27
Ring Atom Count 46
Ring Bond Count 50
Rotatable Bond Count 10
Stereo Double Bond Count 0
Aliphatic Ring Count 9
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 4
Heteroaliphatic Ring Count 4
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 9
Smallest Ring Size 6
Smallest Ring System Size 1

 






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