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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.24
Van der Waals volume 350.65
Polar Surface Area 106.97
Van der Waals Surface Area 545.82
Refractivity 96.24

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ELEMENTAL PROPERTIESExact Mass 378.168
Isotope Formula C20H26O7
Dot Disconnected Formula C20H26O7
Dot Disconnected Isotope Formula C20H26O7
Composition C (63.48%), H (6.93%), O (29.6%)
Isotope Composition C (63.48%), H (6.93%), O (29.6%)
Donor Sites 1
Donor Count 1
Acceptor Sites 9
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count53
Aliphatic Atom Count 27
Aliphatic Bond Count 28
Aromatic Bond Count 0
Asymmetric Atom Count 6
Bond Count 54
Chain Atom Count 17
Chain Bond Count 17
Chiral Center Count 6
Ring Atom Count 10
Ring Bond Count 11
Rotatable Bond Count 6
Stereo Double Bond Count 1
Aliphatic Ring Count 2
Aromatic Ring Count 0
Carbo Ring Count 1
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 7
Largest Ring System Size 2
Ring Count 2
Smallest Ring Size 5
Smallest Ring System Size 2

 






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