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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.47
Van der Waals volume 464.02
Polar Surface Area 107.22
Van der Waals Surface Area 720.87
Refractivity 146.94

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ELEMENTAL PROPERTIESExact Mass 490.236
Isotope Formula C30H34O6
Dot Disconnected Formula C30H34O6
Dot Disconnected Isotope Formula C30H34O6
Composition C (73.45%), H (6.99%), O (19.57%)
Isotope Composition C (73.45%), H (6.99%), O (19.57%)
Donor Sites 4
Donor Count 4
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count70
Aliphatic Atom Count 20
Aliphatic Bond Count 21
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 72
Chain Atom Count 20
Chain Bond Count 21
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 0
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 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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