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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 8.3
Van der Waals volume 539.88
Polar Surface Area 116.45
Van der Waals Surface Area 826.25
Refractivity 170.89

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ELEMENTAL PROPERTIESExact Mass 572.277
Isotope Formula C35H40O7
Dot Disconnected Formula C35H40O7
Dot Disconnected Isotope Formula C35H40O7
Composition C (73.4%), H (7.04%), O (19.56%)
Isotope Composition C (73.4%), H (7.04%), O (19.56%)
Donor Sites 0
Donor Count 0
Acceptor Sites 8
Acceptor Count 0


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TOPOLOGICAL PROPERTIESAtom Count82
Aliphatic Atom Count 26
Aliphatic Bond Count 28
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 85
Chain Atom Count 22
Chain Bond Count 23
Chiral Center Count 0
Ring Atom Count 20
Ring Bond Count 22
Rotatable Bond Count 8
Stereo Double Bond Count 1
Aliphatic Ring Count 1
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 3
Hetero Ring Count 2
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 1

 






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