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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 8.25
Van der Waals volume 593.84
Polar Surface Area 83.83
Van der Waals Surface Area 945.65
Refractivity 170.08

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ELEMENTAL PROPERTIESExact Mass 588.381
Isotope Formula C38H52O5
Dot Disconnected Formula C38H52O5
Dot Disconnected Isotope Formula C38H52O5
Composition C (77.51%), H (8.9%), O (13.59%)
Isotope Composition C (77.51%), H (8.9%), O (13.59%)
Donor Sites 2
Donor Count 2
Acceptor Sites 6
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count95
Aliphatic Atom Count 37
Aliphatic Bond Count 42
Aromatic Bond Count 6
Asymmetric Atom Count 9
Bond Count 100
Chain Atom Count 15
Chain Bond Count 16
Chiral Center Count 9
Ring Atom Count 28
Ring Bond Count 32
Rotatable Bond Count 5
Stereo Double Bond Count 1
Aliphatic Ring Count 5
Aromatic Ring Count 1
Carbo Ring Count 6
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 6
Smallest Ring Size 6
Smallest Ring System Size 1

 






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