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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.25
Van der Waals volume 406.27
Polar Surface Area 73.84
Van der Waals Surface Area 682.26
Refractivity 116.99

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ELEMENTAL PROPERTIESExact Mass 446.194
Isotope Formula C24H30O8
Dot Disconnected Formula C24H30O8
Dot Disconnected Isotope Formula C24H30O8
Composition C (64.56%), H (6.77%), O (28.67%)
Isotope Composition C (64.56%), H (6.77%), O (28.67%)
Donor Sites 0
Donor Count 0
Acceptor Sites 8
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count62
Aliphatic Atom Count 20
Aliphatic Bond Count 23
Aromatic Bond Count 12
Asymmetric Atom Count 4
Bond Count 65
Chain Atom Count 12
Chain Bond Count 14
Chiral Center Count 4
Ring Atom Count 20
Ring Bond Count 21
Rotatable Bond Count 8
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 2
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 5
Smallest Ring System Size 1

 






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