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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.62
Van der Waals volume 407.77
Polar Surface Area 169.3
Van der Waals Surface Area 610.3
Refractivity 119.99

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ELEMENTAL PROPERTIESExact Mass 474.153
Isotope Formula C24H26O10
Dot Disconnected Formula C24H26O10
Dot Disconnected Isotope Formula C24H26O10
Composition C (60.76%), H (5.52%), O (33.72%)
Isotope Composition C (60.76%), H (5.52%), O (33.72%)
Donor Sites 7
Donor Count 7
Acceptor Sites 10
Acceptor Count 10


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TOPOLOGICAL PROPERTIESAtom Count60
Aliphatic Atom Count 22
Aliphatic Bond Count 25
Aromatic Bond Count 12
Asymmetric Atom Count 5
Bond Count 63
Chain Atom Count 12
Chain Bond Count 14
Chiral Center Count 5
Ring Atom Count 22
Ring Bond Count 23
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 1

 






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