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PUBCHEM-ZINC00397274

 MMsINC code: MMs02674006
Type: Neutral
Formula: C14H19ClN2O3
SMILES:   Clc1cccc(NC(=O)N2CC(OC(C2)C)C)c1OC
InChI:   InChI=1/C14H19ClN2O3/c1-9-7-17(8-10(2)20-9)14(18)16-12-6-4-5-11(15)13(12)19-3/h4-6,9-10H,7-8H2,1-3H3,(H,16,18)/t9-,10+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.999 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.77 g/mol  logS: -3.05277  SlogP: 2.9897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0675245  Sterimol/B1: 2.23203  Sterimol/B2: 2.30933  Sterimol/B3: 4.25391
  Sterimol/B4: 7.51337  Sterimol/L: 15.0628 
 
 Surface and Volume Properties
  Accessible surface: 530.745  Positive charged surface: 350.59  Negative charged surface: 180.155  Volume: 276.25
  Hydrophobic surface: 444.865  Hydrophilic surface: 85.88
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.