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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.84
Van der Waals volume 462.27
Polar Surface Area 20.23
Van der Waals Surface Area 783.08
Refractivity 129.77

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ELEMENTAL PROPERTIESExact Mass 414.386
Isotope Formula C29H50O
Dot Disconnected Formula C29H50O
Dot Disconnected Isotope Formula C29H50O
Composition C (83.99%), H (12.15%), O (3.86%)
Isotope Composition C (83.99%), H (12.15%), O (3.86%)
Donor Sites 1
Donor Count 1
Acceptor Sites 1
Acceptor Count 1


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TOPOLOGICAL PROPERTIESAtom Count80
Aliphatic Atom Count 30
Aliphatic Bond Count 33
Aromatic Bond Count 0
Asymmetric Atom Count 9
Bond Count 83
Chain Atom Count 13
Chain Bond Count 13
Chiral Center Count 9
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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