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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.7
Van der Waals volume 687.47
Polar Surface Area 148.82
Van der Waals Surface Area 1104.62
Refractivity 189.06

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ELEMENTAL PROPERTIESExact Mass 710.403
Isotope Formula C41H58O10
Dot Disconnected Formula C41H58O10
Dot Disconnected Isotope Formula C41H58O10
Composition C (69.27%), H (8.22%), O (22.51%)
Isotope Composition C (69.27%), H (8.22%), O (22.51%)
Donor Sites 3
Donor Count 3
Acceptor Sites 10
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count109
Aliphatic Atom Count 45
Aliphatic Bond Count 50
Aromatic Bond Count 6
Asymmetric Atom Count 13
Bond Count 114
Chain Atom Count 23
Chain Bond Count 25
Chiral Center Count 13
Ring Atom Count 28
Ring Bond Count 31
Rotatable Bond Count 10
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 1
Carbo Ring Count 5
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 1

 






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