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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.78
Van der Waals volume 583.31
Polar Surface Area 119.36
Van der Waals Surface Area 905.78
Refractivity 179.16

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ELEMENTAL PROPERTIESExact Mass 628.304
Isotope Formula C38H44O8
Dot Disconnected Formula C38H44O8
Dot Disconnected Isotope Formula C38H44O8
Composition C (72.59%), H (7.05%), O (20.36%)
Isotope Composition C (72.59%), H (7.05%), O (20.36%)
Donor Sites 2
Donor Count 2
Acceptor Sites 11
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count90
Aliphatic Atom Count 40
Aliphatic Bond Count 45
Aromatic Bond Count 6
Asymmetric Atom Count 5
Bond Count 95
Chain Atom Count 24
Chain Bond Count 24
Chiral Center Count 5
Ring Atom Count 22
Ring Bond Count 27
Rotatable Bond Count 8
Stereo Double Bond Count 1
Aliphatic Ring Count 5
Aromatic Ring Count 1
Carbo Ring Count 3
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 6
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 6
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 6

 






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