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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 8.68
Van der Waals volume 651.78
Polar Surface Area 105.45
Van der Waals Surface Area 1110.52
Refractivity 176.4

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ELEMENTAL PROPERTIESExact Mass 622.481
Isotope Formula C37H66O7
Dot Disconnected Formula C37H66O7
Dot Disconnected Isotope Formula C37H66O7
Composition C (71.34%), H (10.68%), O (17.98%)
Isotope Composition C (71.34%), H (10.68%), O (17.98%)
Donor Sites 3
Donor Count 3
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count110
Aliphatic Atom Count 44
Aliphatic Bond Count 46
Aromatic Bond Count 0
Asymmetric Atom Count 8
Bond Count 112
Chain Atom Count 29
Chain Bond Count 31
Chiral Center Count 8
Ring Atom Count 15
Ring Bond Count 15
Rotatable Bond Count 25
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 0
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 5
Largest Ring System Size 1
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 1

 






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