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PUBCHEM-ZINC05928750

 MMsINC code: MMs03448082
Type: Neutral
Formula: C11H12N2O2
SMILES:   O=C(N)C(=Cc1ccc(cc1)C)C(=O)N
InChI:   InChI=1/C11H12N2O2/c1-7-2-4-8(5-3-7)6-9(10(12)14)11(13)15/h2-6H,1H3,(H2,12,14)(H2,13,15)

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Potential Energy
Epot(MMFF94)=39.5659 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.229 g/mol  logS: -2.90489  SlogP: 0.34902  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0770101  Sterimol/B1: 2.818  Sterimol/B2: 3.2223  Sterimol/B3: 3.47924
  Sterimol/B4: 4.49825  Sterimol/L: 13.1349 
 
 Surface and Volume Properties
  Accessible surface: 409.128  Positive charged surface: 243.901  Negative charged surface: 165.227  Volume: 195.5
  Hydrophobic surface: 225.364  Hydrophilic surface: 183.764
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.