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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.12
Van der Waals volume 428.69
Polar Surface Area 102.29
Van der Waals Surface Area 661.64
Refractivity 122.31

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ELEMENTAL PROPERTIESExact Mass 470.23
Isotope Formula C27H34O7
Dot Disconnected Formula C27H34O7
Dot Disconnected Isotope Formula C27H34O7
Composition C (68.92%), H (7.28%), O (23.8%)
Isotope Composition C (68.92%), H (7.28%), O (23.8%)
Donor Sites 2
Donor Count 2
Acceptor Sites 8
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count68
Aliphatic Atom Count 34
Aliphatic Bond Count 40
Aromatic Bond Count 0
Asymmetric Atom Count 13
Bond Count 74
Chain Atom Count 8
Chain Bond Count 9
Chiral Center Count 13
Ring Atom Count 26
Ring Bond Count 31
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 7
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 6
Fused Aromatic Ring Count 0
Fused Ring Count 6
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 6
Ring Count 7
Smallest Ring Size 5
Smallest Ring System Size 1

 






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