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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -0.4
Van der Waals volume 1121.09
Polar Surface Area 412.82
Van der Waals Surface Area 1764.45
Refractivity 76.54

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ELEMENTAL PROPERTIESExact Mass 1220.62
Isotope Formula C59H96O26
Dot Disconnected Formula C59H96O26
Dot Disconnected Isotope Formula C59H96O26
Composition C (58.02%), H (7.92%), O (34.06%)
Isotope Composition C (58.02%), H (7.92%), O (34.06%)
Donor Sites 15
Donor Count 15
Acceptor Sites 26
Acceptor Count 25


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TOPOLOGICAL PROPERTIESAtom Count181
Aliphatic Atom Count 85
Aliphatic Bond Count 94
Aromatic Bond Count 0
Asymmetric Atom Count 33
Bond Count 190
Chain Atom Count 33
Chain Bond Count 38
Chiral Center Count 33
Ring Atom Count 52
Ring Bond Count 56
Rotatable Bond Count 13
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.