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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.03
Van der Waals volume 294.27
Polar Surface Area 64.99
Van der Waals Surface Area 485.11
Refractivity 87.15

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ELEMENTAL PROPERTIESExact Mass 316.131
Isotope Formula C18H20O5
Dot Disconnected Formula C18H20O5
Dot Disconnected Isotope Formula C18H20O5
Composition C (68.34%), H (6.37%), O (25.29%)
Isotope Composition C (68.34%), H (6.37%), O (25.29%)
Donor Sites 1
Donor Count 1
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count43
Aliphatic Atom Count 11
Aliphatic Bond Count 12
Aromatic Bond Count 12
Asymmetric Atom Count 0
Bond Count 44
Chain Atom Count 11
Chain Bond Count 12
Chiral Center Count 0
Ring Atom Count 12
Ring Bond Count 12
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
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 2
Smallest Ring Size 6
Smallest Ring System Size 1

 






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