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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.36
Van der Waals volume 592.15
Polar Surface Area 105.2
Van der Waals Surface Area 969.8
Refractivity 166.75

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ELEMENTAL PROPERTIESExact Mass 620.335
Isotope Formula C37H48O8
Dot Disconnected Formula C37H48O8
Dot Disconnected Isotope Formula C37H48O8
Composition C (71.59%), H (7.79%), O (20.62%)
Isotope Composition C (71.59%), H (7.79%), O (20.62%)
Donor Sites 0
Donor Count 0
Acceptor Sites 8
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count93
Aliphatic Atom Count 39
Aliphatic Bond Count 44
Aromatic Bond Count 6
Asymmetric Atom Count 10
Bond Count 98
Chain Atom Count 17
Chain Bond Count 19
Chiral Center Count 10
Ring Atom Count 28
Ring Bond Count 31
Rotatable Bond Count 8
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 1
Carbo Ring Count 5
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 1

 






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