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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.45
Van der Waals volume 355.4
Polar Surface Area 96.22
Van der Waals Surface Area 558.79
Refractivity 110.43

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ELEMENTAL PROPERTIESExact Mass 396.157
Isotope Formula C23H24O6
Dot Disconnected Formula C23H24O6
Dot Disconnected Isotope Formula C23H24O6
Composition C (69.68%), H (6.1%), O (24.22%)
Isotope Composition C (69.68%), H (6.1%), O (24.22%)
Donor Sites 3
Donor Count 3
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count53
Aliphatic Atom Count 15
Aliphatic Bond Count 16
Aromatic Bond Count 16
Asymmetric Atom Count 0
Bond Count 56
Chain Atom Count 11
Chain Bond Count 11
Chiral Center Count 0
Ring Atom Count 18
Ring Bond Count 21
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 3
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 4

 






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