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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.5
Van der Waals volume 961.08
Polar Surface Area 375.52
Van der Waals Surface Area 1519.43
Refractivity 246.06

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ELEMENTAL PROPERTIESExact Mass 1066.52
Isotope Formula C50H82O24
Dot Disconnected Formula C50H82O24
Dot Disconnected Isotope Formula C50H82O24
Composition C (56.27%), H (7.74%), O (35.98%)
Isotope Composition C (56.27%), H (7.74%), O (35.98%)
Donor Sites 14
Donor Count 14
Acceptor Sites 24
Acceptor Count 24


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TOPOLOGICAL PROPERTIESAtom Count156
Aliphatic Atom Count 74
Aliphatic Bond Count 83
Aromatic Bond Count 0
Asymmetric Atom Count 33
Bond Count 165
Chain Atom Count 25
Chain Bond Count 29
Chiral Center Count 33
Ring Atom Count 49
Ring Bond Count 54
Rotatable Bond Count 11
Stereo Double Bond Count 0
Aliphatic Ring Count 10
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 6
Heteroaliphatic Ring Count 6
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 6
Ring Count 10
Smallest Ring Size 5
Smallest Ring System Size 1

 






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