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PUBCHEM-ZINC05583508

 MMsINC code: MMs03314087
Type: Neutral
Formula: C19H15NO
SMILES:   Oc1ccccc1\C=N\c1c2c3c(CCc3ccc2)cc1
InChI:   InChI=1/C19H15NO/c21-18-7-2-1-4-15(18)12-20-17-11-10-14-9-8-13-5-3-6-16(17)19(13)14/h1-7,10-12,21H,8-9H2/b20-12+

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Potential Energy
Epot(MMFF94)=93.4122 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.335 g/mol  logS: -5.67135  SlogP: 4.39454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0419419  Sterimol/B1: 2.21421  Sterimol/B2: 3.93583  Sterimol/B3: 4.26338
  Sterimol/B4: 5.95872  Sterimol/L: 15.7042 
 
 Surface and Volume Properties
  Accessible surface: 511.57  Positive charged surface: 313.918  Negative charged surface: 188.511  Volume: 274.5
  Hydrophobic surface: 466.149  Hydrophilic surface: 45.421
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.