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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.85
Van der Waals volume 1244.54
Polar Surface Area 485.65
Van der Waals Surface Area 1945.3
Refractivity 318.49

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ELEMENTAL PROPERTIESExact Mass 1378.64
Isotope Formula C65H102O31
Dot Disconnected Formula C65H102O31
Dot Disconnected Isotope Formula C65H102O31
Composition C (56.59%), H (7.45%), O (35.95%)
Isotope Composition C (56.59%), H (7.45%), O (35.95%)
Donor Sites 16
Donor Count 16
Acceptor Sites 31
Acceptor Count 28


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TOPOLOGICAL PROPERTIESAtom Count198
Aliphatic Atom Count 96
Aliphatic Bond Count 106
Aromatic Bond Count 0
Asymmetric Atom Count 35
Bond Count 208
Chain Atom Count 31
Chain Bond Count 32
Chiral Center Count 35
Ring Atom Count 65
Ring Bond Count 74
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 11
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 10
Fused Aromatic Ring Count 0
Fused Ring Count 10
Hetero Ring Count 6
Heteroaliphatic Ring Count 6
Heteroaromatic Ring Count 0
Largest Ring Size 34
Largest Ring System Size 10
Ring Count 11
Smallest Ring Size 6
Smallest Ring System Size 1

 






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