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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.02
Van der Waals volume 409.24
Polar Surface Area 153.75
Van der Waals Surface Area 621.9
Refractivity 120.84

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ELEMENTAL PROPERTIESExact Mass 470.158
Isotope Formula C25H26O9
Dot Disconnected Formula C25H26O9
Dot Disconnected Isotope Formula C25H26O9
Composition C (63.82%), H (5.57%), O (30.61%)
Isotope Composition C (63.82%), H (5.57%), O (30.61%)
Donor Sites 5
Donor Count 5
Acceptor Sites 10
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count60
Aliphatic Atom Count 22
Aliphatic Bond Count 25
Aromatic Bond Count 12
Asymmetric Atom Count 6
Bond Count 63
Chain Atom Count 14
Chain Bond Count 15
Chiral Center Count 6
Ring Atom Count 20
Ring Bond Count 22
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 2
Carbo Ring Count 3
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 1

 






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