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NCID-ZINC01753343

 MMsINC code: MMs02363231
Type: Neutral
Formula: C15H21FN2O2
SMILES:   Fc1cc(NC(=O)N(CCO)C2CCCCC2)ccc1
InChI:   InChI=1/C15H21FN2O2/c16-12-5-4-6-13(11-12)17-15(20)18(9-10-19)14-7-2-1-3-8-14/h4-6,11,14,19H,1-3,7-10H2,(H,17,20)

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Potential Energy
Epot(MMFF94)=42.4514 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.343 g/mol  logS: -2.88578  SlogP: 2.9846  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117018  Sterimol/B1: 3.39008  Sterimol/B2: 4.29039  Sterimol/B3: 4.89233
  Sterimol/B4: 5.76906  Sterimol/L: 13.6102 
 
 Surface and Volume Properties
  Accessible surface: 509.152  Positive charged surface: 356.332  Negative charged surface: 152.821  Volume: 271.875
  Hydrophobic surface: 454.12  Hydrophilic surface: 55.032
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.