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IFLAB-ZINC00133160

 MMsINC code: MMs01974760
Type: Neutral
Formula: C19H18N2O4
SMILES:   o1c2c(cc1C(=O)NNC(=O)COc1cc(cc(c1)C)C)cccc2
InChI:   InChI=1/C19H18N2O4/c1-12-7-13(2)9-15(8-12)24-11-18(22)20-21-19(23)17-10-14-5-3-4-6-16(14)25-17/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23)

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Potential Energy
Epot(MMFF94)=91.7842 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.363 g/mol  logS: -6.20631  SlogP: 2.88964  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00329174  Sterimol/B1: 2.11483  Sterimol/B2: 2.51244  Sterimol/B3: 2.51604
  Sterimol/B4: 7.25276  Sterimol/L: 21.0793 
 
 Surface and Volume Properties
  Accessible surface: 639.674  Positive charged surface: 371.253  Negative charged surface: 262.886  Volume: 321.5
  Hydrophobic surface: 508.205  Hydrophilic surface: 131.469
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.