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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.05
Van der Waals volume 365.25
Polar Surface Area 83.83
Van der Waals Surface Area 585.82
Refractivity 100.24

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ELEMENTAL PROPERTIESExact Mass 376.225
Isotope Formula C22H32O5
Dot Disconnected Formula C22H32O5
Dot Disconnected Isotope Formula C22H32O5
Composition C (70.18%), H (8.57%), O (21.25%)
Isotope Composition C (70.18%), H (8.57%), O (21.25%)
Donor Sites 2
Donor Count 2
Acceptor Sites 6
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count59
Aliphatic Atom Count 27
Aliphatic Bond Count 30
Aromatic Bond Count 0
Asymmetric Atom Count 8
Bond Count 62
Chain Atom Count 11
Chain Bond Count 11
Chiral Center Count 8
Ring Atom Count 16
Ring Bond Count 19
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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