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PUBCHEM-ZINC06169971

 MMsINC code: MMs03578289
Type: Neutral
Formula: C15H16N2O3
SMILES:   O(C)c1cc(NC(=O)Nc2ccccc2)cc(OC)c1
InChI:   InChI=1/C15H16N2O3/c1-19-13-8-12(9-14(10-13)20-2)17-15(18)16-11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,16,17,18)

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Potential Energy
Epot(MMFF94)=76.4156 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.304 g/mol  logS: -3.35281  SlogP: 3.3478  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0362281  Sterimol/B1: 2.62258  Sterimol/B2: 2.93923  Sterimol/B3: 3.58742
  Sterimol/B4: 6.64771  Sterimol/L: 16.2953 
 
 Surface and Volume Properties
  Accessible surface: 526.18  Positive charged surface: 366.717  Negative charged surface: 159.463  Volume: 262.5
  Hydrophobic surface: 444.927  Hydrophilic surface: 81.253
 
 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.