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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.98
Van der Waals volume 512.18
Polar Surface Area 60.44
Van der Waals Surface Area 849.28
Refractivity 142.23

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ELEMENTAL PROPERTIESExact Mass 496.355
Isotope Formula C32H48O4
Dot Disconnected Formula C32H48O4
Dot Disconnected Isotope Formula C32H48O4
Composition C (77.38%), H (9.74%), O (12.88%)
Isotope Composition C (77.38%), H (9.74%), O (12.88%)
Donor Sites 0
Donor Count 0
Acceptor Sites 6
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count84
Aliphatic Atom Count 36
Aliphatic Bond Count 40
Aromatic Bond Count 0
Asymmetric Atom Count 7
Bond Count 88
Chain Atom Count 14
Chain Bond Count 14
Chiral Center Count 7
Ring Atom Count 22
Ring Bond Count 26
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 5
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 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 5

 






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