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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.92
Van der Waals volume 395.68
Polar Surface Area 80.67
Van der Waals Surface Area 628.3
Refractivity 120.05

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ELEMENTAL PROPERTIESExact Mass 410.209
Isotope Formula C25H30O5
Dot Disconnected Formula C25H30O5
Dot Disconnected Isotope Formula C25H30O5
Composition C (73.15%), H (7.37%), O (19.49%)
Isotope Composition C (73.15%), H (7.37%), O (19.49%)
Donor Sites 1
Donor Count 1
Acceptor Sites 7
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count60
Aliphatic Atom Count 24
Aliphatic Bond Count 25
Aromatic Bond Count 6
Asymmetric Atom Count 0
Bond Count 61
Chain Atom Count 20
Chain Bond Count 20
Chiral Center Count 0
Ring Atom Count 10
Ring Bond Count 11
Rotatable Bond Count 9
Stereo Double Bond Count 2
Aliphatic Ring Count 1
Aromatic Ring Count 1
Carbo Ring Count 2
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 2

 






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