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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 9.14
Van der Waals volume 649.97
Polar Surface Area 64.99
Van der Waals Surface Area 1056.35
Refractivity 185.57

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ELEMENTAL PROPERTIESExact Mass 632.444
Isotope Formula C41H60O5
Dot Disconnected Formula C41H60O5
Dot Disconnected Isotope Formula C41H60O5
Composition C (77.81%), H (9.56%), O (12.64%)
Isotope Composition C (77.81%), H (9.56%), O (12.64%)
Donor Sites 1
Donor Count 1
Acceptor Sites 5
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count106
Aliphatic Atom Count 40
Aliphatic Bond Count 45
Aromatic Bond Count 6
Asymmetric Atom Count 10
Bond Count 111
Chain Atom Count 19
Chain Bond Count 20
Chiral Center Count 10
Ring Atom Count 27
Ring Bond Count 31
Rotatable Bond Count 7
Stereo Double Bond Count 1
Aliphatic Ring Count 5
Aromatic Ring Count 1
Carbo Ring Count 6
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 1

 






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