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ASINEX-ZINC00298894

 MMsINC code: MMs00112908
Type: Neutral
Formula: C16H18N2O3
SMILES:   o1cccc1C(=O)NNC(=O)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C16H18N2O3/c1-16(2,3)12-8-6-11(7-9-12)14(19)17-18-15(20)13-5-4-10-21-13/h4-10H,1-3H3,(H,17,19)(H,18,20)

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Potential Energy
Epot(MMFF94)=84.8583 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.331 g/mol  logS: -5.35455  SlogP: 2.6519  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0228716  Sterimol/B1: 2.37521  Sterimol/B2: 3.89813  Sterimol/B3: 4.11511
  Sterimol/B4: 4.87403  Sterimol/L: 18.1518 
 
 Surface and Volume Properties
  Accessible surface: 540.753  Positive charged surface: 293.601  Negative charged surface: 247.153  Volume: 281.375
  Hydrophobic surface: 380.252  Hydrophilic surface: 160.501
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.