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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.42
Van der Waals volume 621.42
Polar Surface Area 69.92
Van der Waals Surface Area 940.8
Refractivity 193.91

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ELEMENTAL PROPERTIESExact Mass 600.418
Isotope Formula C40H56O4
Dot Disconnected Formula C40H56O4
Dot Disconnected Isotope Formula C40H56O4
Composition C (79.96%), H (9.39%), O (10.65%)
Isotope Composition C (79.96%), H (9.39%), O (10.65%)
Donor Sites 3
Donor Count 3
Acceptor Sites 4
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count100
Aliphatic Atom Count 44
Aliphatic Bond Count 46
Aromatic Bond Count 0
Asymmetric Atom Count 5
Bond Count 102
Chain Atom Count 29
Chain Bond Count 30
Chiral Center Count 5
Ring Atom Count 15
Ring Bond Count 16
Rotatable Bond Count 8
Stereo Double Bond Count 7
Aliphatic Ring Count 3
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 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 1

 






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