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ASINEX-ZINC01883998

 MMsINC code: MMs00259445
Type: Neutral
Formula: C16H18N4O4
SMILES:   OC(C(O)C(=O)NNc1ccccc1)C(=O)NNc1ccccc1
InChI:   InChI=1/C16H18N4O4/c21-13(15(23)19-17-11-7-3-1-4-8-11)14(22)16(24)20-18-12-9-5-2-6-10-12/h1-10,13-14,17-18,21-22H,(H,19,23)(H,20,24)/t13-,14-/m1/s1

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Potential Energy
Epot(MMFF94)=131.895 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.344 g/mol  logS: -2.5729  SlogP: -0.0052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0356476  Sterimol/B1: 2.40833  Sterimol/B2: 2.58057  Sterimol/B3: 3.81371
  Sterimol/B4: 7.35106  Sterimol/L: 18.6944 
 
 Surface and Volume Properties
  Accessible surface: 594.867  Positive charged surface: 310.486  Negative charged surface: 284.381  Volume: 303.125
  Hydrophobic surface: 409.058  Hydrophilic surface: 185.809
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.