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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 8.61
Van der Waals volume 671.04
Polar Surface Area 99.38
Van der Waals Surface Area 1140.98
Refractivity 183.35

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ELEMENTAL PROPERTIESExact Mass 622.517
Isotope Formula C38H70O6
Dot Disconnected Formula C38H70O6
Dot Disconnected Isotope Formula C38H70O6
Composition C (73.26%), H (11.33%), O (15.41%)
Isotope Composition C (73.26%), H (11.33%), O (15.41%)
Donor Sites 4
Donor Count 4
Acceptor Sites 6
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count114
Aliphatic Atom Count 44
Aliphatic Bond Count 45
Aromatic Bond Count 0
Asymmetric Atom Count 7
Bond Count 115
Chain Atom Count 34
Chain Bond Count 35
Chiral Center Count 7
Ring Atom Count 10
Ring Bond Count 10
Rotatable Bond Count 28
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 0
Carbo Ring Count 0
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 5
Largest Ring System Size 1
Ring Count 2
Smallest Ring Size 5
Smallest Ring System Size 1

 






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