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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.54
Van der Waals volume 319.76
Polar Surface Area 72.83
Van der Waals Surface Area 524.32
Refractivity 86.6

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ELEMENTAL PROPERTIESExact Mass 324.194
Isotope Formula C18H28O5
Dot Disconnected Formula C18H28O5
Dot Disconnected Isotope Formula C18H28O5
Composition C (66.64%), H (8.7%), O (24.66%)
Isotope Composition C (66.64%), H (8.7%), O (24.66%)
Donor Sites 1
Donor Count 1
Acceptor Sites 5
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count51
Aliphatic Atom Count 23
Aliphatic Bond Count 24
Aromatic Bond Count 0
Asymmetric Atom Count 5
Bond Count 52
Chain Atom Count 13
Chain Bond Count 13
Chiral Center Count 5
Ring Atom Count 10
Ring Bond Count 11
Rotatable Bond Count 5
Stereo Double Bond Count 1
Aliphatic Ring Count 2
Aromatic Ring Count 0
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 2

 






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