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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.19
Van der Waals volume 370.12
Polar Surface Area 66.76
Van der Waals Surface Area 565.6
Refractivity 118.19

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ELEMENTAL PROPERTIESExact Mass 390.183
Isotope Formula C25H26O4
Dot Disconnected Formula C25H26O4
Dot Disconnected Isotope Formula C25H26O4
Composition C (76.9%), H (6.71%), O (16.39%)
Isotope Composition C (76.9%), H (6.71%), O (16.39%)
Donor Sites 2
Donor Count 2
Acceptor Sites 5
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count55
Aliphatic Atom Count 13
Aliphatic Bond Count 14
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 57
Chain Atom Count 13
Chain Bond Count 14
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 0
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 2
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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