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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.05
Van der Waals volume 325.8
Polar Surface Area 58.92
Van der Waals Surface Area 540.38
Refractivity 95.58

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ELEMENTAL PROPERTIESExact Mass 330.183
Isotope Formula C20H26O4
Dot Disconnected Formula C20H26O4
Dot Disconnected Isotope Formula C20H26O4
Composition C (72.7%), H (7.93%), O (19.37%)
Isotope Composition C (72.7%), H (7.93%), O (19.37%)
Donor Sites 2
Donor Count 2
Acceptor Sites 4
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count50
Aliphatic Atom Count 12
Aliphatic Bond Count 13
Aromatic Bond Count 12
Asymmetric Atom Count 2
Bond Count 51
Chain Atom Count 12
Chain Bond Count 13
Chiral Center Count 2
Ring Atom Count 12
Ring Bond Count 12
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 0
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 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 1

 






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