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NCID-ZINC01704165

 MMsINC code: MMs02333028
Type: Neutral
Formula: C16H15NO2
SMILES:   O(C(=O)c1cc2Cc3cc(N)ccc3-c2cc1)CC
InChI:   InChI=1/C16H15NO2/c1-2-19-16(18)10-3-5-14-11(7-10)8-12-9-13(17)4-6-15(12)14/h3-7,9H,2,8,17H2,1H3

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Potential Energy
Epot(MMFF94)=72.8246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.301 g/mol  logS: -4.71196  SlogP: 3.01667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00761734  Sterimol/B1: 2.378  Sterimol/B2: 2.37956  Sterimol/B3: 3.23717
  Sterimol/B4: 4.76377  Sterimol/L: 17.4705 
 
 Surface and Volume Properties
  Accessible surface: 500.147  Positive charged surface: 320.157  Negative charged surface: 168.347  Volume: 251.375
  Hydrophobic surface: 377.98  Hydrophilic surface: 122.167
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.