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ENAMINE-ZINC02639866

 MMsINC code: MMs01268392
Type: Neutral
Formula: C17H14ClFN2O4
SMILES:   Clc1ccc(nc1)NC(=O)COC(=O)CCC(=O)c1ccc(F)cc1
InChI:   InChI=1/C17H14ClFN2O4/c18-12-3-7-15(20-9-12)21-16(23)10-25-17(24)8-6-14(22)11-1-4-13(19)5-2-11/h1-5,7,9H,6,8,10H2,(H,20,21,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.2259 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.76 g/mol  logS: -3.94062  SlogP: 3.0189  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00407608  Sterimol/B1: 2.3484  Sterimol/B2: 2.46491  Sterimol/B3: 2.8326
  Sterimol/B4: 5.27455  Sterimol/L: 22.4008 
 
 Surface and Volume Properties
  Accessible surface: 614.054  Positive charged surface: 325.668  Negative charged surface: 288.385  Volume: 310.5
  Hydrophobic surface: 483.458  Hydrophilic surface: 130.596
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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
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Ions/Tautomers related molecules: no related molecules available.