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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.56
Van der Waals volume 419.36
Polar Surface Area 148.82
Van der Waals Surface Area 660
Refractivity 110.12

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ELEMENTAL PROPERTIESExact Mass 468.2
Isotope Formula C23H32O10
Dot Disconnected Formula C23H32O10
Dot Disconnected Isotope Formula C23H32O10
Composition C (58.96%), H (6.88%), O (34.15%)
Isotope Composition C (58.96%), H (6.88%), O (34.15%)
Donor Sites 3
Donor Count 3
Acceptor Sites 11
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count65
Aliphatic Atom Count 33
Aliphatic Bond Count 36
Aromatic Bond Count 0
Asymmetric Atom Count 11
Bond Count 68
Chain Atom Count 14
Chain Bond Count 15
Chiral Center Count 11
Ring Atom Count 19
Ring Bond Count 21
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 0
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 7
Largest Ring System Size 3
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 1

 






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