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AURORAFEINCHEMIE-ZINC01581830

 MMsINC code: MMs00448592
Type: Neutral
Formula: C15H14N2O3
SMILES:   OC(=O)C(NC(=O)c1cccnc1)Cc1ccccc1
InChI:   InChI=1/C15H14N2O3/c18-14(12-7-4-8-16-10-12)17-13(15(19)20)9-11-5-2-1-3-6-11/h1-8,10,13H,9H2,(H,17,18)(H,19,20)/t13-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.6422 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.288 g/mol  logS: -2.09808  SlogP: 1.50727  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13822  Sterimol/B1: 2.51253  Sterimol/B2: 3.22758  Sterimol/B3: 3.67398
  Sterimol/B4: 9.18682  Sterimol/L: 12.7955 
 
 Surface and Volume Properties
  Accessible surface: 494.657  Positive charged surface: 291.153  Negative charged surface: 203.504  Volume: 255.375
  Hydrophobic surface: 362.442  Hydrophilic surface: 132.215
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00448593
AURORAFEINCHEMIE-ZINC01581830