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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.27
Van der Waals volume 442.02
Polar Surface Area 107.22
Van der Waals Surface Area 693.8
Refractivity 139.64

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ELEMENTAL PROPERTIESExact Mass 484.189
Isotope Formula C30H28O6
Dot Disconnected Formula C30H28O6
Dot Disconnected Isotope Formula C30H28O6
Composition C (74.36%), H (5.82%), O (19.81%)
Isotope Composition C (74.36%), H (5.82%), O (19.81%)
Donor Sites 4
Donor Count 4
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count64
Aliphatic Atom Count 12
Aliphatic Bond Count 15
Aromatic Bond Count 24
Asymmetric Atom Count 0
Bond Count 67
Chain Atom Count 12
Chain Bond Count 15
Chiral Center Count 0
Ring Atom Count 24
Ring Bond Count 24
Rotatable Bond Count 9
Stereo Double Bond Count 0
Aliphatic Ring Count 0
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 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 1

 






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