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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.44
Van der Waals volume 562.88
Polar Surface Area 154.97
Van der Waals Surface Area 888.9
Refractivity 156.92

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ELEMENTAL PROPERTIESExact Mass 625.252
Isotope Formula C33H39NO11
Dot Disconnected Formula C33H39NO11
Dot Disconnected Isotope Formula C33H39NO11
Composition C (63.35%), H (6.28%), N (2.24%), O (28.13%)
Isotope Composition C (63.35%), H (6.28%), N (2.24%), O (28.13%)
Donor Sites 1
Donor Count 1
Acceptor Sites 12
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count84
Aliphatic Atom Count 33
Aliphatic Bond Count 37
Aromatic Bond Count 12
Asymmetric Atom Count 8
Bond Count 88
Chain Atom Count 21
Chain Bond Count 23
Chiral Center Count 8
Ring Atom Count 24
Ring Bond Count 26
Rotatable Bond Count 10
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 2
Carbo Ring Count 3
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 2
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 1

 






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