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AURORAFEINCHEMIE-ZINC00343884

 MMsINC code: MMs00446538
Type: Neutral
Formula: C16H15N3O4
SMILES:   OC=1C2=C(NC(=O)C=1Cc1ccccc1)N(C)C(=O)N(C)C2=O
InChI:   InChI=1/C16H15N3O4/c1-18-13-11(15(22)19(2)16(18)23)12(20)10(14(21)17-13)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,17,20,21)

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Potential Energy
Epot(MMFF94)=35.5755 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.313 g/mol  logS: -2.90569  SlogP: 0.90637  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102032  Sterimol/B1: 2.14663  Sterimol/B2: 3.41923  Sterimol/B3: 4.33545
  Sterimol/B4: 7.10158  Sterimol/L: 13.819 
 
 Surface and Volume Properties
  Accessible surface: 504.148  Positive charged surface: 340.275  Negative charged surface: 163.872  Volume: 279.125
  Hydrophobic surface: 359.016  Hydrophilic surface: 145.132
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.