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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.39
Van der Waals volume 490.96
Polar Surface Area 145.91
Van der Waals Surface Area 743.53
Refractivity 154.16

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ELEMENTAL PROPERTIESExact Mass 570.189
Isotope Formula C33H30O9
Dot Disconnected Formula C33H30O9
Dot Disconnected Isotope Formula C33H30O9
Composition C (69.46%), H (5.3%), O (25.24%)
Isotope Composition C (69.46%), H (5.3%), O (25.24%)
Donor Sites 5
Donor Count 5
Acceptor Sites 10
Acceptor Count 9


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TOPOLOGICAL PROPERTIESAtom Count72
Aliphatic Atom Count 24
Aliphatic Bond Count 30
Aromatic Bond Count 18
Asymmetric Atom Count 4
Bond Count 78
Chain Atom Count 12
Chain Bond Count 13
Chiral Center Count 4
Ring Atom Count 30
Ring Bond Count 35
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 3
Carbo Ring Count 4
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 3
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 7
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 7
Smallest Ring Size 5
Smallest Ring System Size 3

 






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