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CHEMBRIDGE-ZINC04865831

 MMsINC code: MMs00805045
Type: Neutral
Formula: C18H19ClN2O3
SMILES:   Clc1cc(N2CCOCC2)c(NC(=O)c2ccccc2OC)cc1
InChI:   InChI=1/C18H19ClN2O3/c1-23-17-5-3-2-4-14(17)18(22)20-15-7-6-13(19)12-16(15)21-8-10-24-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=163.381 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.814 g/mol  logS: -4.35843  SlogP: 3.4375  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0816249  Sterimol/B1: 3.29113  Sterimol/B2: 4.22441  Sterimol/B3: 4.9508
  Sterimol/B4: 6.55438  Sterimol/L: 13.7766 
 
 Surface and Volume Properties
  Accessible surface: 581.548  Positive charged surface: 382.264  Negative charged surface: 199.283  Volume: 318.125
  Hydrophobic surface: 528.079  Hydrophilic surface: 53.469
 
 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.