NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 9.2
Van der Waals volume 610.18
Polar Surface Area 111.9
Van der Waals Surface Area 893.38
Refractivity 179.51

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ELEMENTAL PROPERTIESExact Mass 602.361
Isotope Formula C38H50O6
Dot Disconnected Formula C38H50O6
Dot Disconnected Isotope Formula C38H50O6
Composition C (75.71%), H (8.36%), O (15.93%)
Isotope Composition C (75.71%), H (8.36%), O (15.93%)
Donor Sites 3
Donor Count 3
Acceptor Sites 9
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count94
Aliphatic Atom Count 38
Aliphatic Bond Count 40
Aromatic Bond Count 6
Asymmetric Atom Count 4
Bond Count 96
Chain Atom Count 29
Chain Bond Count 30
Chiral Center Count 4
Ring Atom Count 15
Ring Bond Count 16
Rotatable Bond Count 12
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 1
Carbo Ring Count 3
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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