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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.81
Van der Waals volume 528.61
Polar Surface Area 116.45
Van der Waals Surface Area 801.4
Refractivity 168.41

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ELEMENTAL PROPERTIESExact Mass 570.262
Isotope Formula C35H38O7
Dot Disconnected Formula C35H38O7
Dot Disconnected Isotope Formula C35H38O7
Composition C (73.66%), H (6.71%), O (19.63%)
Isotope Composition C (73.66%), H (6.71%), O (19.63%)
Donor Sites 4
Donor Count 4
Acceptor Sites 8
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count80
Aliphatic Atom Count 26
Aliphatic Bond Count 29
Aromatic Bond Count 17
Asymmetric Atom Count 1
Bond Count 84
Chain Atom Count 20
Chain Bond Count 20
Chiral Center Count 1
Ring Atom Count 22
Ring Bond Count 26
Rotatable Bond Count 6
Stereo Double Bond Count 1
Aliphatic Ring Count 2
Aromatic Ring Count 3
Carbo Ring Count 3
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 5
Hetero Ring Count 2
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 1
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.