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NCID-ZINC01719707

 MMsINC code: MMs02344798
Type: Neutral
Formula: C14H13NO2
SMILES:   Oc1ccccc1\C=N\c1ccc(O)cc1C
InChI:   InChI=1/C14H13NO2/c1-10-8-12(16)6-7-13(10)15-9-11-4-2-3-5-14(11)17/h2-9,16-17H,1H3/b15-9+

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Potential Energy
Epot(MMFF94)=61.7023 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.263 g/mol  logS: -2.74619  SlogP: 3.15682  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0526542  Sterimol/B1: 2.18297  Sterimol/B2: 2.24174  Sterimol/B3: 3.88968
  Sterimol/B4: 6.25308  Sterimol/L: 14.7318 
 
 Surface and Volume Properties
  Accessible surface: 459.41  Positive charged surface: 283.7  Negative charged surface: 175.71  Volume: 227.625
  Hydrophobic surface: 365.235  Hydrophilic surface: 94.175
 
 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.