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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.18
Van der Waals volume 750.96
Polar Surface Area 154.1
Van der Waals Surface Area 1208.69
Refractivity 222.42

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ELEMENTAL PROPERTIESExact Mass 810.42
Isotope Formula C46H58N4O9
Dot Disconnected Formula C46H58N4O9
Dot Disconnected Isotope Formula C46H58N4O9
Composition C (68.13%), H (7.21%), N (6.91%), O (17.76%)
Isotope Composition C (68.13%), H (7.21%), N (6.91%), O (17.76%)
Donor Sites 3
Donor Count 3
Acceptor Sites 12
Acceptor Count 9


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TOPOLOGICAL PROPERTIESAtom Count117
Aliphatic Atom Count 44
Aliphatic Bond Count 51
Aromatic Bond Count 16
Asymmetric Atom Count 11
Bond Count 125
Chain Atom Count 21
Chain Bond Count 22
Chiral Center Count 11
Ring Atom Count 38
Ring Bond Count 45
Rotatable Bond Count 10
Stereo Double Bond Count 0
Aliphatic Ring Count 6
Aromatic Ring Count 3
Carbo Ring Count 3
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 6
Fused Aromatic Ring Count 2
Fused Ring Count 9
Hetero Ring Count 6
Heteroaliphatic Ring Count 5
Heteroaromatic Ring Count 1
Largest Ring Size 9
Largest Ring System Size 5
Ring Count 9
Smallest Ring Size 5
Smallest Ring System Size 4

 






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