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ENAMINE-ZINC03516031

 MMsINC code: MMs01486131
Type: Neutral
Formula: C18H19ClN2O3
SMILES:   Clc1cc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)ccc1
InChI:   InChI=1/C18H19ClN2O3/c19-14-2-1-3-17(12-14)24-13-18(22)20-15-4-6-16(7-5-15)21-8-10-23-11-9-21/h1-7,12H,8-11,13H2,(H,20,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=158.695 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.814 g/mol  logS: -4.38487  SlogP: 3.1941  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0202259  Sterimol/B1: 2.5787  Sterimol/B2: 2.64261  Sterimol/B3: 3.82556
  Sterimol/B4: 5.68998  Sterimol/L: 19.7702 
 
 Surface and Volume Properties
  Accessible surface: 603.394  Positive charged surface: 373.07  Negative charged surface: 230.324  Volume: 318.625
  Hydrophobic surface: 524.657  Hydrophilic surface: 78.737
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.