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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 8.28
Van der Waals volume 614.67
Polar Surface Area 75.99
Van der Waals Surface Area 983.32
Refractivity 176.37

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ELEMENTAL PROPERTIESExact Mass 604.413
Isotope Formula C39H56O5
Dot Disconnected Formula C39H56O5
Dot Disconnected Isotope Formula C39H56O5
Composition C (77.44%), H (9.33%), O (13.23%)
Isotope Composition C (77.44%), H (9.33%), O (13.23%)
Donor Sites 2
Donor Count 2
Acceptor Sites 5
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count100
Aliphatic Atom Count 38
Aliphatic Bond Count 43
Aromatic Bond Count 6
Asymmetric Atom Count 10
Bond Count 105
Chain Atom Count 17
Chain Bond Count 18
Chiral Center Count 10
Ring Atom Count 27
Ring Bond Count 31
Rotatable Bond Count 7
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 5
Smallest Ring System Size 1

 






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