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ENAMINE-ZINC03435501

 MMsINC code: MMs01440440
Type: Neutral
Formula: C24H24N2O2
SMILES:   O=C(Nc1ccccc1Cc1ccccc1)CC(NC(=O)C)c1ccccc1
InChI:   InChI=1/C24H24N2O2/c1-18(27)25-23(20-12-6-3-7-13-20)17-24(28)26-22-15-9-8-14-21(22)16-19-10-4-2-5-11-19/h2-15,23H,16-17H2,1H3,(H,25,27)(H,26,28)/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.8272 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.468 g/mol  logS: -5.21965  SlogP: 4.57887  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0867591  Sterimol/B1: 2.46362  Sterimol/B2: 2.96218  Sterimol/B3: 4.7414
  Sterimol/B4: 9.16125  Sterimol/L: 14.9865 
 
 Surface and Volume Properties
  Accessible surface: 654.497  Positive charged surface: 372.874  Negative charged surface: 281.623  Volume: 378.75
  Hydrophobic surface: 594.071  Hydrophilic surface: 60.426
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.