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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.83
Van der Waals volume 405.81
Polar Surface Area 133.14
Van der Waals Surface Area 651.8
Refractivity 116.8

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ELEMENTAL PROPERTIESExact Mass 474.153
Isotope Formula C24H26O10
Dot Disconnected Formula C24H26O10
Dot Disconnected Isotope Formula C24H26O10
Composition C (60.76%), H (5.52%), O (33.72%)
Isotope Composition C (60.76%), H (5.52%), O (33.72%)
Donor Sites 3
Donor Count 3
Acceptor Sites 11
Acceptor Count 10


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TOPOLOGICAL PROPERTIESAtom Count60
Aliphatic Atom Count 22
Aliphatic Bond Count 26
Aromatic Bond Count 12
Asymmetric Atom Count 4
Bond Count 64
Chain Atom Count 12
Chain Bond Count 12
Chiral Center Count 4
Ring Atom Count 22
Ring Bond Count 26
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 3
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 5
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 5

 






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