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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.19
Van der Waals volume 390.99
Polar Surface Area 83.83
Van der Waals Surface Area 594.27
Refractivity 123.88

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ELEMENTAL PROPERTIESExact Mass 428.162
Isotope Formula C27H24O5
Dot Disconnected Formula C27H24O5
Dot Disconnected Isotope Formula C27H24O5
Composition C (75.68%), H (5.65%), O (18.67%)
Isotope Composition C (75.68%), H (5.65%), O (18.67%)
Donor Sites 2
Donor Count 2
Acceptor Sites 6
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count56
Aliphatic Atom Count 14
Aliphatic Bond Count 17
Aromatic Bond Count 18
Asymmetric Atom Count 1
Bond Count 59
Chain Atom Count 10
Chain Bond Count 12
Chiral Center Count 1
Ring Atom Count 22
Ring Bond Count 23
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 3
Carbo Ring Count 3
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 3
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 1

 






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