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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.83
Van der Waals volume 354.97
Polar Surface Area 53.99
Van der Waals Surface Area 563.1
Refractivity 110.84

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ELEMENTAL PROPERTIESExact Mass 380.162
Isotope Formula C23H24O5
Dot Disconnected Formula C23H24O5
Dot Disconnected Isotope Formula C23H24O5
Composition C (72.61%), H (6.36%), O (21.03%)
Isotope Composition C (72.61%), H (6.36%), O (21.03%)
Donor Sites 0
Donor Count 0
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count52
Aliphatic Atom Count 16
Aliphatic Bond Count 18
Aromatic Bond Count 12
Asymmetric Atom Count 0
Bond Count 54
Chain Atom Count 12
Chain Bond Count 13
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 6
Stereo Double Bond Count 1
Aliphatic Ring Count 1
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 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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