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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.71
Van der Waals volume 478.68
Polar Surface Area 116.45
Van der Waals Surface Area 800.91
Refractivity 127.93

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ELEMENTAL PROPERTIESExact Mass 470.324
Isotope Formula C26H46O7
Dot Disconnected Formula C26H46O7
Dot Disconnected Isotope Formula C26H46O7
Composition C (66.35%), H (9.85%), O (23.8%)
Isotope Composition C (66.35%), H (9.85%), O (23.8%)
Donor Sites 4
Donor Count 4
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count79
Aliphatic Atom Count 33
Aliphatic Bond Count 34
Aromatic Bond Count 0
Asymmetric Atom Count 7
Bond Count 80
Chain Atom Count 23
Chain Bond Count 24
Chiral Center Count 7
Ring Atom Count 10
Ring Bond Count 10
Rotatable Bond Count 17
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 0
Carbo Ring Count 0
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 5
Largest Ring System Size 1
Ring Count 2
Smallest Ring Size 5
Smallest Ring System Size 1

 






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