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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.12
Van der Waals volume 329.97
Polar Surface Area 93.06
Van der Waals Surface Area 508.46
Refractivity 103.81

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ELEMENTAL PROPERTIESExact Mass 368.126
Isotope Formula C21H20O6
Dot Disconnected Formula C21H20O6
Dot Disconnected Isotope Formula C21H20O6
Composition C (68.47%), H (5.47%), O (26.06%)
Isotope Composition C (68.47%), H (5.47%), O (26.06%)
Donor Sites 2
Donor Count 2
Acceptor Sites 8
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count47
Aliphatic Atom Count 15
Aliphatic Bond Count 16
Aromatic Bond Count 12
Asymmetric Atom Count 0
Bond Count 48
Chain Atom Count 15
Chain Bond Count 16
Chiral Center Count 0
Ring Atom Count 12
Ring Bond Count 12
Rotatable Bond Count 8
Stereo Double Bond Count 2
Aliphatic Ring Count 0
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 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 1

 






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