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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.5
Van der Waals volume 462.89
Polar Surface Area 206.07
Van der Waals Surface Area 712.89
Refractivity 134.59

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ELEMENTAL PROPERTIESExact Mass 543.174
Isotope Formula C27H29NO11
Dot Disconnected Formula C27H29NO11
Dot Disconnected Isotope Formula C27H29NO11
Composition C (59.66%), H (5.38%), N (2.58%), O (32.38%)
Isotope Composition C (59.66%), H (5.38%), N (2.58%), O (32.38%)
Donor Sites 7
Donor Count 6
Acceptor Sites 15
Acceptor Count 12


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TOPOLOGICAL PROPERTIESAtom Count68
Aliphatic Atom Count 27
Aliphatic Bond Count 31
Aromatic Bond Count 12
Asymmetric Atom Count 6
Bond Count 72
Chain Atom Count 15
Chain Bond Count 16
Chiral Center Count 6
Ring Atom Count 24
Ring Bond Count 27
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 2
Carbo Ring Count 4
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 1

 






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