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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.63
Van der Waals volume 402.88
Polar Surface Area 155.14
Van der Waals Surface Area 611.42
Refractivity 120.29

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ELEMENTAL PROPERTIESExact Mass 482.121
Isotope Formula C25H22O10
Dot Disconnected Formula C25H22O10
Dot Disconnected Isotope Formula C25H22O10
Composition C (62.24%), H (4.6%), O (33.16%)
Isotope Composition C (62.24%), H (4.6%), O (33.16%)
Donor Sites 5
Donor Count 5
Acceptor Sites 11
Acceptor Count 10


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TOPOLOGICAL PROPERTIESAtom Count57
Aliphatic Atom Count 17
Aliphatic Bond Count 21
Aromatic Bond Count 18
Asymmetric Atom Count 4
Bond Count 61
Chain Atom Count 9
Chain Bond Count 11
Chiral Center Count 4
Ring Atom Count 26
Ring Bond Count 28
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 3
Carbo Ring Count 3
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 3
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 1

 






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