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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.59
Van der Waals volume 369.36
Polar Surface Area 72.83
Van der Waals Surface Area 561.01
Refractivity 125.32

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ELEMENTAL PROPERTIESExact Mass 404.162
Isotope Formula C25H24O5
Dot Disconnected Formula C25H24O5
Dot Disconnected Isotope Formula C25H24O5
Composition C (74.24%), H (5.98%), O (19.78%)
Isotope Composition C (74.24%), H (5.98%), O (19.78%)
Donor Sites 1
Donor Count 1
Acceptor Sites 6
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count54
Aliphatic Atom Count 14
Aliphatic Bond Count 16
Aromatic Bond Count 17
Asymmetric Atom Count 2
Bond Count 57
Chain Atom Count 10
Chain Bond Count 11
Chiral Center Count 2
Ring Atom Count 20
Ring Bond Count 22
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 3
Hetero Ring Count 2
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 1
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.