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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.58
Van der Waals volume 435
Polar Surface Area 107.22
Van der Waals Surface Area 679.26
Refractivity 137.47

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ELEMENTAL PROPERTIESExact Mass 464.22
Isotope Formula C28H32O6
Dot Disconnected Formula C28H32O6
Dot Disconnected Isotope Formula C28H32O6
Composition C (72.39%), H (6.94%), O (20.66%)
Isotope Composition C (72.39%), H (6.94%), O (20.66%)
Donor Sites 4
Donor Count 4
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count66
Aliphatic Atom Count 20
Aliphatic Bond Count 20
Aromatic Bond Count 16
Asymmetric Atom Count 0
Bond Count 68
Chain Atom Count 20
Chain Bond Count 20
Chiral Center Count 0
Ring Atom Count 14
Ring Bond Count 16
Rotatable Bond Count 6
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 3
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 3

 






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