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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.73
Van der Waals volume 405.21
Polar Surface Area 100.14
Van der Waals Surface Area 674.47
Refractivity 118.93

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ELEMENTAL PROPERTIESExact Mass 462.153
Isotope Formula C23H26O10
Dot Disconnected Formula C23H26O10
Dot Disconnected Isotope Formula C23H26O10
Composition C (59.74%), H (5.67%), O (34.6%)
Isotope Composition C (59.74%), H (5.67%), O (34.6%)
Donor Sites 0
Donor Count 0
Acceptor Sites 11
Acceptor Count 10


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TOPOLOGICAL PROPERTIESAtom Count59
Aliphatic Atom Count 17
Aliphatic Bond Count 18
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 61
Chain Atom Count 17
Chain Bond Count 18
Chiral Center Count 0
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 9
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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