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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.3
Van der Waals volume 421.68
Polar Surface Area 121.13
Van der Waals Surface Area 669.16
Refractivity 122.49

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ELEMENTAL PROPERTIESExact Mass 444.215
Isotope Formula C25H32O7
Dot Disconnected Formula C25H32O7
Dot Disconnected Isotope Formula C25H32O7
Composition C (67.55%), H (7.26%), O (25.19%)
Isotope Composition C (67.55%), H (7.26%), O (25.19%)
Donor Sites 3
Donor Count 3
Acceptor Sites 9
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count64
Aliphatic Atom Count 26
Aliphatic Bond Count 27
Aromatic Bond Count 6
Asymmetric Atom Count 2
Bond Count 65
Chain Atom Count 22
Chain Bond Count 22
Chiral Center Count 2
Ring Atom Count 10
Ring Bond Count 11
Rotatable Bond Count 10
Stereo Double Bond Count 1
Aliphatic Ring Count 1
Aromatic Ring Count 1
Carbo Ring Count 2
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
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.