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ENAMINE-ZINC03343402

 MMsINC code: MMs01384528
Type: Neutral
Formula: C22H23N3O4
SMILES:   Oc1ccccc1N1CCN(CC1)C1CC(=O)N(C1=O)c1ccc(cc1)C(=O)C
InChI:   InChI=1/C22H23N3O4/c1-15(26)16-6-8-17(9-7-16)25-21(28)14-19(22(25)29)24-12-10-23(11-13-24)18-4-2-3-5-20(18)27/h2-9,19,27H,10-14H2,1H3/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=183.847 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.443 g/mol  logS: -3.61785  SlogP: 2.0489  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0502517  Sterimol/B1: 2.16946  Sterimol/B2: 3.6507  Sterimol/B3: 3.82736
  Sterimol/B4: 9.00278  Sterimol/L: 18.6361 
 
 Surface and Volume Properties
  Accessible surface: 650.816  Positive charged surface: 397.575  Negative charged surface: 253.24  Volume: 371.875
  Hydrophobic surface: 487.12  Hydrophilic surface: 163.696
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.