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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.14
Van der Waals volume 326.56
Polar Surface Area 77.76
Van der Waals Surface Area 536.06
Refractivity 93.41

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ELEMENTAL PROPERTIESExact Mass 332.199
Isotope Formula C20H28O4
Dot Disconnected Formula C20H28O4
Dot Disconnected Isotope Formula C20H28O4
Composition C (72.26%), H (8.49%), O (19.25%)
Isotope Composition C (72.26%), H (8.49%), O (19.25%)
Donor Sites 3
Donor Count 3
Acceptor Sites 5
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count52
Aliphatic Atom Count 18
Aliphatic Bond Count 20
Aromatic Bond Count 6
Asymmetric Atom Count 2
Bond Count 54
Chain Atom Count 10
Chain Bond Count 10
Chiral Center Count 2
Ring Atom Count 14
Ring Bond Count 16
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 1
Carbo Ring Count 3
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 3

 






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