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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.12
Van der Waals volume 523.17
Polar Surface Area 100.9
Van der Waals Surface Area 783.54
Refractivity 131.83

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ELEMENTAL PROPERTIESExact Mass 544.282
Isotope Formula C34H40O6
Dot Disconnected Formula C34H40O6
Dot Disconnected Isotope Formula C34H40O6
Composition C (74.97%), H (7.4%), O (17.62%)
Isotope Composition C (74.97%), H (7.4%), O (17.62%)
Donor Sites 2
Donor Count 2
Acceptor Sites 9
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count80
Aliphatic Atom Count 34
Aliphatic Bond Count 37
Aromatic Bond Count 6
Asymmetric Atom Count 5
Bond Count 83
Chain Atom Count 15
Chain Bond Count 16
Chiral Center Count 5
Ring Atom Count 25
Ring Bond Count 27
Rotatable Bond Count 5
Stereo Double Bond Count 2
Aliphatic Ring Count 3
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 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 10
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.