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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 9.35
Van der Waals volume 594
Polar Surface Area 108.74
Van der Waals Surface Area 919.88
Refractivity 175.53

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ELEMENTAL PROPERTIESExact Mass 600.345
Isotope Formula C38H48O6
Dot Disconnected Formula C38H48O6
Dot Disconnected Isotope Formula C38H48O6
Composition C (75.97%), H (8.05%), O (15.98%)
Isotope Composition C (75.97%), H (8.05%), O (15.98%)
Donor Sites 2
Donor Count 2
Acceptor Sites 10
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count92
Aliphatic Atom Count 38
Aliphatic Bond Count 41
Aromatic Bond Count 6
Asymmetric Atom Count 6
Bond Count 95
Chain Atom Count 28
Chain Bond Count 29
Chiral Center Count 6
Ring Atom Count 16
Ring Bond Count 18
Rotatable Bond Count 11
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 1
Carbo Ring Count 4
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 1

 






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