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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -1.95
Van der Waals volume 1137.23
Polar Surface Area 433.05
Van der Waals Surface Area 1800.22
Refractivity 198.48

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ELEMENTAL PROPERTIESExact Mass 1238.63
Isotope Formula C59H98O27
Dot Disconnected Formula C59H98O27
Dot Disconnected Isotope Formula C59H98O27
Composition C (57.18%), H (7.97%), O (34.85%)
Isotope Composition C (57.18%), H (7.97%), O (34.85%)
Donor Sites 16
Donor Count 16
Acceptor Sites 27
Acceptor Count 26


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TOPOLOGICAL PROPERTIESAtom Count184
Aliphatic Atom Count 86
Aliphatic Bond Count 95
Aromatic Bond Count 0
Asymmetric Atom Count 34
Bond Count 193
Chain Atom Count 34
Chain Bond Count 39
Chiral Center Count 34
Ring Atom Count 52
Ring Bond Count 56
Rotatable Bond Count 15
Stereo Double Bond Count 0
Aliphatic Ring Count 10
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 5
Heteroaliphatic Ring Count 5
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 10
Smallest Ring Size 6
Smallest Ring System Size 1

 






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