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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.6
Van der Waals volume 1065.1
Polar Surface Area 359.34
Van der Waals Surface Area 1719.78
Refractivity 280.06

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ELEMENTAL PROPERTIESExact Mass 1182.51
Isotope Formula C57H82O26
Dot Disconnected Formula C57H82O26
Dot Disconnected Isotope Formula C57H82O26
Composition C (57.86%), H (6.99%), O (35.16%)
Isotope Composition C (57.86%), H (6.99%), O (35.16%)
Donor Sites 8
Donor Count 8
Acceptor Sites 28
Acceptor Count 24


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TOPOLOGICAL PROPERTIESAtom Count165
Aliphatic Atom Count 73
Aliphatic Bond Count 79
Aromatic Bond Count 11
Asymmetric Atom Count 25
Bond Count 172
Chain Atom Count 39
Chain Bond Count 44
Chiral Center Count 25
Ring Atom Count 44
Ring Bond Count 46
Rotatable Bond Count 20
Stereo Double Bond Count 0
Aliphatic Ring Count 6
Aromatic Ring Count 2
Carbo Ring Count 3
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 3
Hetero Ring Count 5
Heteroaliphatic Ring Count 5
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 8
Smallest Ring Size 6
Smallest Ring System Size 1

 






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