NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 8.02
Van der Waals volume 461.73
Polar Surface Area 86.99
Van der Waals Surface Area 734.75
Refractivity 144.02

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ELEMENTAL PROPERTIESExact Mass 476.256
Isotope Formula C30H36O5
Dot Disconnected Formula C30H36O5
Dot Disconnected Isotope Formula C30H36O5
Composition C (75.6%), H (7.61%), O (16.78%)
Isotope Composition C (75.6%), H (7.61%), O (16.78%)
Donor Sites 3
Donor Count 3
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count71
Aliphatic Atom Count 23
Aliphatic Bond Count 25
Aromatic Bond Count 12
Asymmetric Atom Count 1
Bond Count 73
Chain Atom Count 19
Chain Bond Count 20
Chiral Center Count 1
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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