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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -1.54
Van der Waals volume 833.4
Polar Surface Area 304.21
Van der Waals Surface Area 1299.2
Refractivity 220.09

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ELEMENTAL PROPERTIESExact Mass 914.451
Isotope Formula C45H70O19
Dot Disconnected Formula C45H70O19
Dot Disconnected Isotope Formula C45H70O19
Composition C (59.07%), H (7.71%), O (33.22%)
Isotope Composition C (59.07%), H (7.71%), O (33.22%)
Donor Sites 11
Donor Count 11
Acceptor Sites 19
Acceptor Count 18


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TOPOLOGICAL PROPERTIESAtom Count134
Aliphatic Atom Count 64
Aliphatic Bond Count 71
Aromatic Bond Count 0
Asymmetric Atom Count 24
Bond Count 141
Chain Atom Count 23
Chain Bond Count 27
Chiral Center Count 24
Ring Atom Count 41
Ring Bond Count 44
Rotatable Bond Count 11
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 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 4
Heteroaliphatic Ring Count 4
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 8
Smallest Ring Size 5
Smallest Ring System Size 1

 






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