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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.14
Van der Waals volume 858.92
Polar Surface Area 276.14
Van der Waals Surface Area 1381.03
Refractivity 224.22

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ELEMENTAL PROPERTIESExact Mass 916.503
Isotope Formula C46H76O18
Dot Disconnected Formula C46H76O18
Dot Disconnected Isotope Formula C46H76O18
Composition C (60.24%), H (8.35%), O (31.4%)
Isotope Composition C (60.24%), H (8.35%), O (31.4%)
Donor Sites 10
Donor Count 10
Acceptor Sites 18
Acceptor Count 18


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TOPOLOGICAL PROPERTIESAtom Count140
Aliphatic Atom Count 64
Aliphatic Bond Count 71
Aromatic Bond Count 0
Asymmetric Atom Count 26
Bond Count 147
Chain Atom Count 26
Chain Bond Count 29
Chiral Center Count 26
Ring Atom Count 38
Ring Bond Count 42
Rotatable Bond Count 13
Stereo Double Bond Count 0
Aliphatic Ring Count 8
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 4
Heteroaliphatic Ring Count 4
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 8
Smallest Ring Size 5
Smallest Ring System Size 1

 






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