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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.06
Van der Waals volume 382.98
Polar Surface Area 96.22
Van der Waals Surface Area 593.29
Refractivity 118.74

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ELEMENTAL PROPERTIESExact Mass 422.173
Isotope Formula C25H26O6
Dot Disconnected Formula C25H26O6
Dot Disconnected Isotope Formula C25H26O6
Composition C (71.07%), H (6.2%), O (22.72%)
Isotope Composition C (71.07%), H (6.2%), O (22.72%)
Donor Sites 3
Donor Count 3
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count57
Aliphatic Atom Count 15
Aliphatic Bond Count 17
Aromatic Bond Count 17
Asymmetric Atom Count 1
Bond Count 60
Chain Atom Count 12
Chain Bond Count 13
Chiral Center Count 1
Ring Atom Count 19
Ring Bond Count 21
Rotatable Bond Count 4
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 5
Smallest Ring System Size 1

 






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