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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -1.66
Van der Waals volume 354.69
Polar Surface Area 153.75
Van der Waals Surface Area 534.42
Refractivity 95.57

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ELEMENTAL PROPERTIESExact Mass 410.158
Isotope Formula C20H26O9
Dot Disconnected Formula C20H26O9
Dot Disconnected Isotope Formula C20H26O9
Composition C (58.53%), H (6.39%), O (35.09%)
Isotope Composition C (58.53%), H (6.39%), O (35.09%)
Donor Sites 5
Donor Count 5
Acceptor Sites 10
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count55
Aliphatic Atom Count 29
Aliphatic Bond Count 33
Aromatic Bond Count 0
Asymmetric Atom Count 11
Bond Count 59
Chain Atom Count 10
Chain Bond Count 10
Chiral Center Count 11
Ring Atom Count 19
Ring Bond Count 23
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 5

 






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