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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.4
Van der Waals volume 447.68
Polar Surface Area 173.98
Van der Waals Surface Area 660.95
Refractivity 140.72

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ELEMENTAL PROPERTIESExact Mass 542.121
Isotope Formula C30H22O10
Dot Disconnected Formula C30H22O10
Dot Disconnected Isotope Formula C30H22O10
Composition C (66.42%), H (4.09%), O (29.49%)
Isotope Composition C (66.42%), H (4.09%), O (29.49%)
Donor Sites 6
Donor Count 6
Acceptor Sites 12
Acceptor Count 10


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TOPOLOGICAL PROPERTIESAtom Count62
Aliphatic Atom Count 16
Aliphatic Bond Count 21
Aromatic Bond Count 24
Asymmetric Atom Count 4
Bond Count 67
Chain Atom Count 8
Chain Bond Count 11
Chiral Center Count 4
Ring Atom Count 32
Ring Bond Count 34
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 4
Carbo Ring Count 4
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 4
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 6
Smallest Ring Size 6
Smallest Ring System Size 1

 






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