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ENAMINE-ZINC03499838

 MMsINC code: MMs01476196
Type: Neutral
Formula: C23H25N3O3
SMILES:   O(C(=O)c1c(n(nc1C)Cc1ccccc1)C)CC(=O)N(Cc1ccccc1)C
InChI:   InChI=1/C23H25N3O3/c1-17-22(18(2)26(24-17)15-20-12-8-5-9-13-20)23(28)29-16-21(27)25(3)14-19-10-6-4-7-11-19/h4-13H,14-16H2,1-3H3

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Potential Energy
Epot(MMFF94)=95.2131 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.471 g/mol  logS: -4.32582  SlogP: 3.89644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0491383  Sterimol/B1: 2.21772  Sterimol/B2: 2.31547  Sterimol/B3: 5.09486
  Sterimol/B4: 7.5064  Sterimol/L: 20.4691 
 
 Surface and Volume Properties
  Accessible surface: 711.332  Positive charged surface: 441.547  Negative charged surface: 269.784  Volume: 392.875
  Hydrophobic surface: 617.133  Hydrophilic surface: 94.199
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.