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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.42
Van der Waals volume 358.07
Polar Surface Area 51.16
Van der Waals Surface Area 583.97
Refractivity 110.21

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ELEMENTAL PROPERTIESExact Mass 381.194
Isotope Formula C23H27NO4
Dot Disconnected Formula C23H27NO4
Dot Disconnected Isotope Formula C23H27NO4
Composition C (72.42%), H (7.13%), N (3.67%), O (16.78%)
Isotope Composition C (72.42%), H (7.13%), N (3.67%), O (16.78%)
Donor Sites 1
Donor Count 1
Acceptor Sites 5
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count55
Aliphatic Atom Count 16
Aliphatic Bond Count 19
Aromatic Bond Count 12
Asymmetric Atom Count 3
Bond Count 58
Chain Atom Count 7
Chain Bond Count 9
Chiral Center Count 3
Ring Atom Count 21
Ring Bond Count 22
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 1

 






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