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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.84
Van der Waals volume 505.59
Polar Surface Area 106.92
Van der Waals Surface Area 813.27
Refractivity 149.69

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ELEMENTAL PROPERTIESExact Mass 561.236
Isotope Formula C32H35NO8
Dot Disconnected Formula C32H35NO8
Dot Disconnected Isotope Formula C32H35NO8
Composition C (68.43%), H (6.28%), N (2.49%), O (22.79%)
Isotope Composition C (68.43%), H (6.28%), N (2.49%), O (22.79%)
Donor Sites 2
Donor Count 2
Acceptor Sites 9
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count76
Aliphatic Atom Count 23
Aliphatic Bond Count 28
Aromatic Bond Count 18
Asymmetric Atom Count 6
Bond Count 81
Chain Atom Count 12
Chain Bond Count 15
Chiral Center Count 6
Ring Atom Count 29
Ring Bond Count 31
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 3
Carbo Ring Count 4
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 3
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 1

 






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