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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.72
Van der Waals volume 408.56
Polar Surface Area 110.13
Van der Waals Surface Area 629.72
Refractivity 127.13

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ELEMENTAL PROPERTIESExact Mass 460.152
Isotope Formula C27H24O7
Dot Disconnected Formula C27H24O7
Dot Disconnected Isotope Formula C27H24O7
Composition C (70.42%), H (5.25%), O (24.32%)
Isotope Composition C (70.42%), H (5.25%), O (24.32%)
Donor Sites 2
Donor Count 2
Acceptor Sites 9
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count58
Aliphatic Atom Count 18
Aliphatic Bond Count 20
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 61
Chain Atom Count 14
Chain Bond Count 15
Chiral Center Count 0
Ring Atom Count 20
Ring Bond Count 22
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 3
Carbo Ring Count 4
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 3
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 4
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 2

 






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