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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.52
Van der Waals volume 446.06
Polar Surface Area 121.13
Van der Waals Surface Area 719.16
Refractivity 124.57

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ELEMENTAL PROPERTIESExact Mass 450.262
Isotope Formula C25H38O7
Dot Disconnected Formula C25H38O7
Dot Disconnected Isotope Formula C25H38O7
Composition C (66.64%), H (8.5%), O (24.86%)
Isotope Composition C (66.64%), H (8.5%), O (24.86%)
Donor Sites 3
Donor Count 3
Acceptor Sites 9
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count70
Aliphatic Atom Count 32
Aliphatic Bond Count 32
Aromatic Bond Count 0
Asymmetric Atom Count 4
Bond Count 70
Chain Atom Count 25
Chain Bond Count 25
Chiral Center Count 4
Ring Atom Count 7
Ring Bond Count 7
Rotatable Bond Count 11
Stereo Double Bond Count 1
Aliphatic Ring Count 1
Aromatic Ring Count 0
Carbo Ring Count 1
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 0
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 7
Largest Ring System Size 1
Ring Count 1
Smallest Ring Size 7
Smallest Ring System Size 1

 






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