NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.78
Van der Waals volume 984.35
Polar Surface Area 293.21
Van der Waals Surface Area 1571.78
Refractivity 82.62

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ELEMENTAL PROPERTIESExact Mass 1039.58
Isotope Formula C54H87O19
Dot Disconnected Formula C54H87O19
Dot Disconnected Isotope Formula C54H87O19
Composition C (62.35%), H (8.43%), O (29.22%)
Isotope Composition C (62.35%), H (8.43%), O (29.22%)
Donor Sites 10
Donor Count 10
Acceptor Sites 19
Acceptor Count 18


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TOPOLOGICAL PROPERTIESAtom Count160
Aliphatic Atom Count 73
Aliphatic Bond Count 81
Aromatic Bond Count 0
Asymmetric Atom Count 26
Bond Count 168
Chain Atom Count 27
Chain Bond Count 31
Chiral Center Count 26
Ring Atom Count 46
Ring Bond Count 50
Rotatable Bond Count 11
Stereo Double Bond Count 0
Aliphatic Ring Count 9
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 4
Heteroaliphatic Ring Count 4
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 9
Smallest Ring Size 6
Smallest Ring System Size 1

 






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