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ENAMINE-ZINC03491567

 MMsINC code: MMs01471625
Type: Neutral
Formula: C20H25FN2O
SMILES:   Fc1ccccc1CN(CC(=O)NC(CCc1ccccc1)C)C
InChI:   InChI=1/C20H25FN2O/c1-16(12-13-17-8-4-3-5-9-17)22-20(24)15-23(2)14-18-10-6-7-11-19(18)21/h3-11,16H,12-15H2,1-2H3,(H,22,24)/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.9355 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.431 g/mol  logS: -4.08223  SlogP: 3.66137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0600081  Sterimol/B1: 1.969  Sterimol/B2: 3.31627  Sterimol/B3: 4.19902
  Sterimol/B4: 7.3081  Sterimol/L: 19.4268 
 
 Surface and Volume Properties
  Accessible surface: 631.68  Positive charged surface: 407.273  Negative charged surface: 224.406  Volume: 339.625
  Hydrophobic surface: 573.822  Hydrophilic surface: 57.858
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs01471626
ENAMINE-ZINC03491567