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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.86
Van der Waals volume 401.08
Polar Surface Area 136.68
Van der Waals Surface Area 631.38
Refractivity 120.06

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ELEMENTAL PROPERTIESExact Mass 444.178
Isotope Formula C24H28O8
Dot Disconnected Formula C24H28O8
Dot Disconnected Isotope Formula C24H28O8
Composition C (64.85%), H (6.35%), O (28.8%)
Isotope Composition C (64.85%), H (6.35%), O (28.8%)
Donor Sites 5
Donor Count 5
Acceptor Sites 8
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count60
Aliphatic Atom Count 18
Aliphatic Bond Count 18
Aromatic Bond Count 16
Asymmetric Atom Count 1
Bond Count 62
Chain Atom Count 18
Chain Bond Count 18
Chiral Center Count 1
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.