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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 13.51
Van der Waals volume 1312.82
Polar Surface Area 777.98
Van der Waals Surface Area 1940.23
Refractivity 393.57

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ELEMENTAL PROPERTIESExact Mass 1700.17
Isotope Formula C76H52O46
Dot Disconnected Formula C76H52O46
Dot Disconnected Isotope Formula C76H52O46
Composition C (53.66%), H (3.08%), O (43.26%)
Isotope Composition C (53.66%), H (3.08%), O (43.26%)
Donor Sites 25
Donor Count 25
Acceptor Sites 46
Acceptor Count 36


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TOPOLOGICAL PROPERTIESAtom Count174
Aliphatic Atom Count 62
Aliphatic Bond Count 72
Aromatic Bond Count 60
Asymmetric Atom Count 5
Bond Count 184
Chain Atom Count 56
Chain Bond Count 66
Chiral Center Count 5
Ring Atom Count 66
Ring Bond Count 66
Rotatable Bond Count 31
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 10
Carbo Ring Count 10
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 10
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 11
Smallest Ring Size 6
Smallest Ring System Size 1

 






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