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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.14
Van der Waals volume 417.21
Polar Surface Area 92.04
Van der Waals Surface Area 651.53
Refractivity 121.86

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ELEMENTAL PROPERTIESExact Mass 466.199
Isotope Formula C27H30O7
Dot Disconnected Formula C27H30O7
Dot Disconnected Isotope Formula C27H30O7
Composition C (69.51%), H (6.48%), O (24.01%)
Isotope Composition C (69.51%), H (6.48%), O (24.01%)
Donor Sites 0
Donor Count 0
Acceptor Sites 7
Acceptor Count 0


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TOPOLOGICAL PROPERTIESAtom Count64
Aliphatic Atom Count 29
Aliphatic Bond Count 34
Aromatic Bond Count 5
Asymmetric Atom Count 9
Bond Count 69
Chain Atom Count 11
Chain Bond Count 12
Chiral Center Count 9
Ring Atom Count 23
Ring Bond Count 27
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 1
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 3
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 1
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.