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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.58
Van der Waals volume 316.21
Polar Surface Area 66.76
Van der Waals Surface Area 515.82
Refractivity 91.43

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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 3


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TOPOLOGICAL PROPERTIESAtom Count50
Aliphatic Atom Count 18
Aliphatic Bond Count 21
Aromatic Bond Count 6
Asymmetric Atom Count 3
Bond Count 53
Chain Atom Count 8
Chain Bond Count 8
Chiral Center Count 3
Ring Atom Count 16
Ring Bond Count 19
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 1
Carbo Ring Count 3
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 4

 






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