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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.57
Van der Waals volume 321.55
Polar Surface Area 75.99
Van der Waals Surface Area 447.17
Refractivity 87.88

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ELEMENTAL PROPERTIESExact Mass 346.178
Isotope Formula C20H26O5
Dot Disconnected Formula C20H26O5
Dot Disconnected Isotope Formula C20H26O5
Composition C (69.34%), H (7.56%), O (23.09%)
Isotope Composition C (69.34%), H (7.56%), O (23.09%)
Donor Sites 2
Donor Count 2
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count51
Aliphatic Atom Count 25
Aliphatic Bond Count 30
Aromatic Bond Count 0
Asymmetric Atom Count 9
Bond Count 56
Chain Atom Count 6
Chain Bond Count 6
Chiral Center Count 9
Ring Atom Count 19
Ring Bond Count 24
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 6
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 6
Fused Aromatic Ring Count 0
Fused Ring Count 6
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 6
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 6

 






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