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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.88
Van der Waals volume 869.95
Polar Surface Area 235.68
Van der Waals Surface Area 1406.09
Refractivity 227.91

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ELEMENTAL PROPERTIESExact Mass 912.545
Isotope Formula C48H80O16
Dot Disconnected Formula C48H80O16
Dot Disconnected Isotope Formula C48H80O16
Composition C (63.14%), H (8.83%), O (28.03%)
Isotope Composition C (63.14%), H (8.83%), O (28.03%)
Donor Sites 8
Donor Count 8
Acceptor Sites 16
Acceptor Count 16


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TOPOLOGICAL PROPERTIESAtom Count144
Aliphatic Atom Count 64
Aliphatic Bond Count 72
Aromatic Bond Count 0
Asymmetric Atom Count 27
Bond Count 152
Chain Atom Count 21
Chain Bond Count 24
Chiral Center Count 27
Ring Atom Count 43
Ring Bond Count 48
Rotatable Bond Count 9
Stereo Double Bond Count 0
Aliphatic Ring Count 9
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 5
Heteroaliphatic Ring Count 5
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 6
Ring Count 9
Smallest Ring Size 5
Smallest Ring System Size 1

 






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