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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 9.3
Van der Waals volume 614.43
Polar Surface Area 93.06
Van der Waals Surface Area 1055.23
Refractivity 166.65

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ELEMENTAL PROPERTIESExact Mass 578.455
Isotope Formula C35H62O6
Dot Disconnected Formula C35H62O6
Dot Disconnected Isotope Formula C35H62O6
Composition C (72.62%), H (10.8%), O (16.58%)
Isotope Composition C (72.62%), H (10.8%), O (16.58%)
Donor Sites 2
Donor Count 2
Acceptor Sites 7
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count103
Aliphatic Atom Count 41
Aliphatic Bond Count 42
Aromatic Bond Count 0
Asymmetric Atom Count 5
Bond Count 104
Chain Atom Count 31
Chain Bond Count 32
Chiral Center Count 5
Ring Atom Count 10
Ring Bond Count 10
Rotatable Bond Count 26
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.