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PUBCHEM-ZINC01188866

 MMsINC code: MMs02785180
Type: Neutral
Formula: C18H19ClN2O3
SMILES:   Clc1cc(ccc1OCC)C(=O)Nc1ccc(NC(=O)CC)cc1
InChI:   InChI=1/C18H19ClN2O3/c1-3-17(22)20-13-6-8-14(9-7-13)21-18(23)12-5-10-16(24-4-2)15(19)11-12/h5-11H,3-4H2,1-2H3,(H,20,22)(H,21,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.6519 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.814 g/mol  logS: -4.87797  SlogP: 4.3395  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0140568  Sterimol/B1: 2.45667  Sterimol/B2: 2.59758  Sterimol/B3: 3.41823
  Sterimol/B4: 6.11996  Sterimol/L: 21.6279 
 
 Surface and Volume Properties
  Accessible surface: 629.383  Positive charged surface: 370.04  Negative charged surface: 259.344  Volume: 323.75
  Hydrophobic surface: 498.423  Hydrophilic surface: 130.96
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.