NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.77
Van der Waals volume 366.19
Polar Surface Area 40.16
Van der Waals Surface Area 602.95
Refractivity 113.87

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ELEMENTAL PROPERTIESExact Mass 393.194
Isotope Formula C24H27NO4
Dot Disconnected Formula C24H27NO4
Dot Disconnected Isotope Formula C24H27NO4
Composition C (73.26%), H (6.92%), N (3.56%), O (16.26%)
Isotope Composition C (73.26%), H (6.92%), N (3.56%), O (16.26%)
Donor Sites 0
Donor Count 0
Acceptor Sites 5
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count56
Aliphatic Atom Count 15
Aliphatic Bond Count 17
Aromatic Bond Count 16
Asymmetric Atom Count 2
Bond Count 60
Chain Atom Count 8
Chain Bond Count 8
Chiral Center Count 2
Ring Atom Count 21
Ring Bond Count 25
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 3
Carbo Ring Count 3
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 3
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 3
Fused Ring Count 5
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 5

 






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