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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.03
Van der Waals volume 538.13
Polar Surface Area 138.03
Van der Waals Surface Area 844.46
Refractivity 167.47

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ELEMENTAL PROPERTIESExact Mass 592.269
Isotope Formula C35H36N4O5
Dot Disconnected Formula C35H36N4O5
Dot Disconnected Isotope Formula C35H36N4O5
Composition C (70.93%), H (6.12%), N (9.45%), O (13.5%)
Isotope Composition C (70.93%), H (6.12%), N (9.45%), O (13.5%)
Donor Sites 3
Donor Count 3
Acceptor Sites 9
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count80
Aliphatic Atom Count 22
Aliphatic Bond Count 24
Aromatic Bond Count 25
Asymmetric Atom Count 3
Bond Count 85
Chain Atom Count 18
Chain Bond Count 18
Chiral Center Count 3
Ring Atom Count 26
Ring Bond Count 31
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 4
Carbo Ring Count 1
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 4
Fused Ring Count 6
Hetero Ring Count 5
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 4
Largest Ring Size 16
Largest Ring System Size 6
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 6

 






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