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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.62
Van der Waals volume 482.75
Polar Surface Area 91.01
Van der Waals Surface Area 798.43
Refractivity 130.13

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ELEMENTAL PROPERTIESExact Mass 477.345
Isotope Formula C28H47NO5
Dot Disconnected Formula C28H47NO5
Dot Disconnected Isotope Formula C28H47NO5
Composition C (70.4%), H (9.92%), N (2.93%), O (16.75%)
Isotope Composition C (70.4%), H (9.92%), N (2.93%), O (16.75%)
Donor Sites 3
Donor Count 2
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count81
Aliphatic Atom Count 34
Aliphatic Bond Count 38
Aromatic Bond Count 0
Asymmetric Atom Count 12
Bond Count 85
Chain Atom Count 11
Chain Bond Count 12
Chiral Center Count 12
Ring Atom Count 23
Ring Bond Count 26
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 5
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 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 1

 






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