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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 9.4
Van der Waals volume 679.9
Polar Surface Area 184.98
Van der Waals Surface Area 1036.58
Refractivity 213.55

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ELEMENTAL PROPERTIESExact Mass 746.309
Isotope Formula C45H46O10
Dot Disconnected Formula C45H46O10
Dot Disconnected Isotope Formula C45H46O10
Composition C (72.37%), H (6.21%), O (21.42%)
Isotope Composition C (72.37%), H (6.21%), O (21.42%)
Donor Sites 7
Donor Count 7
Acceptor Sites 12
Acceptor Count 10


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TOPOLOGICAL PROPERTIESAtom Count101
Aliphatic Atom Count 31
Aliphatic Bond Count 36
Aromatic Bond Count 24
Asymmetric Atom Count 4
Bond Count 106
Chain Atom Count 21
Chain Bond Count 25
Chiral Center Count 4
Ring Atom Count 34
Ring Bond Count 35
Rotatable Bond Count 10
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 4
Carbo Ring Count 5
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 4
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 6
Smallest Ring Size 6
Smallest Ring System Size 1

 






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