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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.41
Van der Waals volume 697.27
Polar Surface Area 187.26
Van der Waals Surface Area 1115.69
Refractivity 194.52

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ELEMENTAL PROPERTIESExact Mass 776.304
Isotope Formula C42H48O14
Dot Disconnected Formula C42H48O14
Dot Disconnected Isotope Formula C42H48O14
Composition C (64.94%), H (6.23%), O (28.83%)
Isotope Composition C (64.94%), H (6.23%), O (28.83%)
Donor Sites 1
Donor Count 1
Acceptor Sites 14
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count104
Aliphatic Atom Count 44
Aliphatic Bond Count 49
Aromatic Bond Count 12
Asymmetric Atom Count 10
Bond Count 109
Chain Atom Count 28
Chain Bond Count 30
Chiral Center Count 10
Ring Atom Count 28
Ring Bond Count 31
Rotatable Bond Count 15
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 2
Carbo Ring Count 5
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 2
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 7
Largest Ring System Size 4
Ring Count 6
Smallest Ring Size 4
Smallest Ring System Size 1

 






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