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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.66
Van der Waals volume 397.57
Polar Surface Area 68.15
Van der Waals Surface Area 625.57
Refractivity 123.53

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ELEMENTAL PROPERTIESExact Mass 422.209
Isotope Formula C26H30O5
Dot Disconnected Formula C26H30O5
Dot Disconnected Isotope Formula C26H30O5
Composition C (73.91%), H (7.16%), O (18.93%)
Isotope Composition C (73.91%), H (7.16%), O (18.93%)
Donor Sites 2
Donor Count 2
Acceptor Sites 5
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count61
Aliphatic Atom Count 19
Aliphatic Bond Count 22
Aromatic Bond Count 12
Asymmetric Atom Count 2
Bond Count 64
Chain Atom Count 14
Chain Bond Count 14
Chiral Center Count 2
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
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.