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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.04
Van der Waals volume 904.05
Polar Surface Area 298.14
Van der Waals Surface Area 1439.36
Refractivity 234.52

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ELEMENTAL PROPERTIESExact Mass 946.55
Isotope Formula C48H82O18
Dot Disconnected Formula C48H82O18
Dot Disconnected Isotope Formula C48H82O18
Composition C (60.87%), H (8.73%), O (30.41%)
Isotope Composition C (60.87%), H (8.73%), O (30.41%)
Donor Sites 12
Donor Count 12
Acceptor Sites 18
Acceptor Count 18


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TOPOLOGICAL PROPERTIESAtom Count148
Aliphatic Atom Count 66
Aliphatic Bond Count 72
Aromatic Bond Count 0
Asymmetric Atom Count 26
Bond Count 154
Chain Atom Count 31
Chain Bond Count 34
Chiral Center Count 26
Ring Atom Count 35
Ring Bond Count 38
Rotatable Bond Count 12
Stereo Double Bond Count 0
Aliphatic Ring Count 7
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 7
Smallest Ring Size 5
Smallest Ring System Size 1

 






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