NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.2
Van der Waals volume 328.16
Polar Surface Area 122.52
Van der Waals Surface Area 506.62
Refractivity 89.18

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ELEMENTAL PROPERTIESExact Mass 380.147
Isotope Formula C19H24O8
Dot Disconnected Formula C19H24O8
Dot Disconnected Isotope Formula C19H24O8
Composition C (59.99%), H (6.36%), O (33.65%)
Isotope Composition C (59.99%), H (6.36%), O (33.65%)
Donor Sites 3
Donor Count 3
Acceptor Sites 8
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count51
Aliphatic Atom Count 27
Aliphatic Bond Count 31
Aromatic Bond Count 0
Asymmetric Atom Count 10
Bond Count 55
Chain Atom Count 8
Chain Bond Count 9
Chiral Center Count 10
Ring Atom Count 19
Ring Bond Count 22
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 1

 






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