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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.6
Van der Waals volume 520.02
Polar Surface Area 127.45
Van der Waals Surface Area 792.8
Refractivity 166.04

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ELEMENTAL PROPERTIESExact Mass 566.23
Isotope Formula C35H34O7
Dot Disconnected Formula C35H34O7
Dot Disconnected Isotope Formula C35H34O7
Composition C (74.19%), H (6.05%), O (19.76%)
Isotope Composition C (74.19%), H (6.05%), O (19.76%)
Donor Sites 5
Donor Count 5
Acceptor Sites 8
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count76
Aliphatic Atom Count 18
Aliphatic Bond Count 21
Aromatic Bond Count 24
Asymmetric Atom Count 2
Bond Count 79
Chain Atom Count 18
Chain Bond Count 21
Chiral Center Count 2
Ring Atom Count 24
Ring Bond Count 24
Rotatable Bond Count 12
Stereo Double Bond Count 2
Aliphatic Ring Count 0
Aromatic Ring Count 4
Carbo Ring Count 4
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 4
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 1

 






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