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PUBCHEM-ZINC00359236

 MMsINC code: MMs02662263
Type: Neutral
Formula: C17H13NO
SMILES:   O=Cc1cc2c(nc1-c1ccccc1)c(ccc2)C
InChI:   InChI=1/C17H13NO/c1-12-6-5-9-14-10-15(11-19)17(18-16(12)14)13-7-3-2-4-8-13/h2-11H,1H3

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Potential Energy
Epot(MMFF94)=82.8098 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.297 g/mol  logS: -4.53518  SlogP: 4.02272  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0388384  Sterimol/B1: 1.98418  Sterimol/B2: 2.55497  Sterimol/B3: 3.16312
  Sterimol/B4: 8.23572  Sterimol/L: 14.0143 
 
 Surface and Volume Properties
  Accessible surface: 467.884  Positive charged surface: 257.445  Negative charged surface: 203.279  Volume: 248.375
  Hydrophobic surface: 399.112  Hydrophilic surface: 68.772
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.