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CHEMBRIDGE-ZINC02909927

 MMsINC code: MMs00740571
Type: Neutral
Formula: C19H28N2O2
SMILES:   O(N\C\1=C/CCCCCCCCCC/1)C(=O)Nc1ccccc1
InChI:   InChI=1/C19H28N2O2/c22-19(20-17-13-11-8-12-14-17)23-21-18-15-9-6-4-2-1-3-5-7-10-16-18/h8,11-15,21H,1-7,9-10,16H2,(H,20,22)/b18-15+

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Potential Energy
Epot(MMFF94)=103.04 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.445 g/mol  logS: -5.65344  SlogP: 5.5382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0299872  Sterimol/B1: 2.9426  Sterimol/B2: 3.46542  Sterimol/B3: 4.67192
  Sterimol/B4: 5.40902  Sterimol/L: 18.2158 
 
 Surface and Volume Properties
  Accessible surface: 594.677  Positive charged surface: 405.453  Negative charged surface: 189.223  Volume: 331.875
  Hydrophobic surface: 514.124  Hydrophilic surface: 80.553
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.