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PUBCHEM-ZINC02858030

 MMsINC code: MMs02942322
Type: Neutral
Formula: C23H24N2O3
SMILES:   O(C)c1ccc(NNC(=O)C(O)(c2ccccc2C)c2ccccc2C)cc1
InChI:   InChI=1/C23H24N2O3/c1-16-8-4-6-10-20(16)23(27,21-11-7-5-9-17(21)2)22(26)25-24-18-12-14-19(28-3)15-13-18/h4-15,24,27H,1-3H3,(H,25,26)

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Potential Energy
Epot(MMFF94)=193.607 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.456 g/mol  logS: -5.61574  SlogP: 4.00274  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115622  Sterimol/B1: 2.21798  Sterimol/B2: 5.79514  Sterimol/B3: 5.89077
  Sterimol/B4: 6.24523  Sterimol/L: 17.8027 
 
 Surface and Volume Properties
  Accessible surface: 638.125  Positive charged surface: 390.113  Negative charged surface: 248.012  Volume: 369
  Hydrophobic surface: 583.28  Hydrophilic surface: 54.845
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.