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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.31
Van der Waals volume 337.62
Polar Surface Area 175.37
Van der Waals Surface Area 516.57
Refractivity 87.26

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ELEMENTAL PROPERTIESExact Mass 402.116
Isotope Formula C17H22O11
Dot Disconnected Formula C17H22O11
Dot Disconnected Isotope Formula C17H22O11
Composition C (50.75%), H (5.51%), O (43.74%)
Isotope Composition C (50.75%), H (5.51%), O (43.74%)
Donor Sites 6
Donor Count 6
Acceptor Sites 11
Acceptor Count 10


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TOPOLOGICAL PROPERTIESAtom Count50
Aliphatic Atom Count 22
Aliphatic Bond Count 24
Aromatic Bond Count 6
Asymmetric Atom Count 9
Bond Count 52
Chain Atom Count 11
Chain Bond Count 13
Chiral Center Count 9
Ring Atom Count 17
Ring Bond Count 17
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 1
Carbo Ring Count 1
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 1

 






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