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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.17
Van der Waals volume 477.08
Polar Surface Area 153.37
Van der Waals Surface Area 769.94
Refractivity 132.26

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ELEMENTAL PROPERTIESExact Mass 534.21
Isotope Formula C27H34O11
Dot Disconnected Formula C27H34O11
Dot Disconnected Isotope Formula C27H34O11
Composition C (60.67%), H (6.41%), O (32.92%)
Isotope Composition C (60.67%), H (6.41%), O (32.92%)
Donor Sites 4
Donor Count 4
Acceptor Sites 11
Acceptor Count 10


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TOPOLOGICAL PROPERTIESAtom Count72
Aliphatic Atom Count 26
Aliphatic Bond Count 29
Aromatic Bond Count 12
Asymmetric Atom Count 7
Bond Count 75
Chain Atom Count 15
Chain Bond Count 18
Chiral Center Count 7
Ring Atom Count 23
Ring Bond Count 23
Rotatable Bond Count 10
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
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 4
Smallest Ring Size 5
Smallest Ring System Size 1

 






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