logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


NCID-ZINC01755644

 MMsINC code: MMs02364464
Type: Neutral
Formula: C15H20FN3O4
SMILES:   Fc1ccc([N+](=O)[O-])cc1NC(=O)N(CCO)C1CCCCC1
InChI:   InChI=1/C15H20FN3O4/c16-13-7-6-12(19(22)23)10-14(13)17-15(21)18(8-9-20)11-4-2-1-3-5-11/h6-7,10-11,20H,1-5,8-9H2,(H,17,21)

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=66.2131 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.34 g/mol  logS: -3.67601  SlogP: 2.8928  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106483  Sterimol/B1: 3.50054  Sterimol/B2: 4.17895  Sterimol/B3: 4.82082
  Sterimol/B4: 6.343  Sterimol/L: 13.4515 
 
 Surface and Volume Properties
  Accessible surface: 538.606  Positive charged surface: 337.422  Negative charged surface: 201.184  Volume: 289
  Hydrophobic surface: 402.676  Hydrophilic surface: 135.93
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.