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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.02
Van der Waals volume 382.83
Polar Surface Area 83.06
Van der Waals Surface Area 614.55
Refractivity 120.36

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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 4
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count58
Aliphatic Atom Count 15
Aliphatic Bond Count 16
Aromatic Bond Count 16
Asymmetric Atom Count 0
Bond Count 60
Chain Atom Count 15
Chain Bond Count 16
Chiral Center Count 0
Ring Atom Count 15
Ring Bond Count 16
Rotatable Bond Count 7
Stereo Double Bond Count 1
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 5
Smallest Ring System Size 1

 






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