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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -0.69
Van der Waals volume 589.45
Polar Surface Area 187.26
Van der Waals Surface Area 967.08
Refractivity 153.18

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ELEMENTAL PROPERTIESExact Mass 652.273
Isotope Formula C32H44O14
Dot Disconnected Formula C32H44O14
Dot Disconnected Isotope Formula C32H44O14
Composition C (58.89%), H (6.79%), O (34.32%)
Isotope Composition C (58.89%), H (6.79%), O (34.32%)
Donor Sites 1
Donor Count 1
Acceptor Sites 14
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count90
Aliphatic Atom Count 46
Aliphatic Bond Count 49
Aromatic Bond Count 0
Asymmetric Atom Count 10
Bond Count 93
Chain Atom Count 30
Chain Bond Count 30
Chiral Center Count 10
Ring Atom Count 16
Ring Bond Count 19
Rotatable Bond Count 13
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 7
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 4
Smallest Ring System Size 4

 






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