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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.29
Van der Waals volume 383.45
Polar Surface Area 86.99
Van der Waals Surface Area 603
Refractivity 119.78

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ELEMENTAL PROPERTIESExact Mass 408.194
Isotope Formula C25H28O5
Dot Disconnected Formula C25H28O5
Dot Disconnected Isotope Formula C25H28O5
Composition C (73.51%), H (6.91%), O (19.58%)
Isotope Composition C (73.51%), H (6.91%), O (19.58%)
Donor Sites 3
Donor Count 3
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count58
Aliphatic Atom Count 18
Aliphatic Bond Count 20
Aromatic Bond Count 12
Asymmetric Atom Count 1
Bond Count 60
Chain Atom Count 14
Chain Bond Count 15
Chiral Center Count 1
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
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 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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