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NCID-ZINC01726205

 MMsINC code: MMs02349927
Type: Neutral
Formula: C22H20N2O2
SMILES:   O=C1c2c(cccc2)C(=O)c2nc(n(c12)CCCC)Cc1ccccc1
InChI:   InChI=1/C22H20N2O2/c1-2-3-13-24-18(14-15-9-5-4-6-10-15)23-19-20(24)22(26)17-12-8-7-11-16(17)21(19)25/h4-12H,2-3,13-14H2,1H3

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Potential Energy
Epot(MMFF94)=79.1081 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.414 g/mol  logS: -5.36802  SlogP: 4.31577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113479  Sterimol/B1: 2.31527  Sterimol/B2: 3.27845  Sterimol/B3: 4.61608
  Sterimol/B4: 11.1854  Sterimol/L: 15.0885 
 
 Surface and Volume Properties
  Accessible surface: 600.935  Positive charged surface: 357.983  Negative charged surface: 242.953  Volume: 343
  Hydrophobic surface: 494.384  Hydrophilic surface: 106.551
 
 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.