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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 9.67
Van der Waals volume 563.61
Polar Surface Area 71.44
Van der Waals Surface Area 911.18
Refractivity 166.68

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ELEMENTAL PROPERTIESExact Mass 536.387
Isotope Formula C35H52O4
Dot Disconnected Formula C35H52O4
Dot Disconnected Isotope Formula C35H52O4
Composition C (78.31%), H (9.76%), O (11.92%)
Isotope Composition C (78.31%), H (9.76%), O (11.92%)
Donor Sites 1
Donor Count 1
Acceptor Sites 7
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count91
Aliphatic Atom Count 39
Aliphatic Bond Count 40
Aromatic Bond Count 0
Asymmetric Atom Count 4
Bond Count 92
Chain Atom Count 30
Chain Bond Count 30
Chiral Center Count 4
Ring Atom Count 9
Ring Bond Count 10
Rotatable Bond Count 11
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 0
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 2
Smallest Ring Size 6
Smallest Ring System Size 2

 






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