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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.07
Van der Waals volume 599.87
Polar Surface Area 99.38
Van der Waals Surface Area 993.83
Refractivity 162.18

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ELEMENTAL PROPERTIESExact Mass 576.439
Isotope Formula C35H60O6
Dot Disconnected Formula C35H60O6
Dot Disconnected Isotope Formula C35H60O6
Composition C (72.87%), H (10.48%), O (16.64%)
Isotope Composition C (72.87%), H (10.48%), O (16.64%)
Donor Sites 4
Donor Count 4
Acceptor Sites 6
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count101
Aliphatic Atom Count 41
Aliphatic Bond Count 45
Aromatic Bond Count 0
Asymmetric Atom Count 14
Bond Count 105
Chain Atom Count 18
Chain Bond Count 19
Chiral Center Count 14
Ring Atom Count 23
Ring Bond Count 26
Rotatable Bond Count 9
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 1

 






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