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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 8.27
Van der Waals volume 374.21
Polar Surface Area 40.46
Van der Waals Surface Area 622.55
Refractivity 110.91

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ELEMENTAL PROPERTIESExact Mass 344.272
Isotope Formula C23H36O2
Dot Disconnected Formula C23H36O2
Dot Disconnected Isotope Formula C23H36O2
Composition C (80.18%), H (10.53%), O (9.29%)
Isotope Composition C (80.18%), H (10.53%), O (9.29%)
Donor Sites 2
Donor Count 2
Acceptor Sites 2
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count61
Aliphatic Atom Count 19
Aliphatic Bond Count 19
Aromatic Bond Count 6
Asymmetric Atom Count 0
Bond Count 61
Chain Atom Count 19
Chain Bond Count 19
Chiral Center Count 0
Ring Atom Count 6
Ring Bond Count 6
Rotatable Bond Count 14
Stereo Double Bond Count 2
Aliphatic Ring Count 0
Aromatic Ring Count 1
Carbo Ring Count 1
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 1
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 6
Largest Ring System Size 1
Ring Count 1
Smallest Ring Size 6
Smallest Ring System Size 1

 






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