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CHEMDIV-ZINC06785653

 MMsINC code: MMs01023411
Type: Neutral
Formula: C15H11N3O3
SMILES:   o1nc(cc1-c1cccnc1)C(=O)Nc1cc(O)ccc1
InChI:   InChI=1/C15H11N3O3/c19-12-5-1-4-11(7-12)17-15(20)13-8-14(21-18-13)10-3-2-6-16-9-10/h1-9,19H,(H,17,20)

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Potential Energy
Epot(MMFF94)=87.0208 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.271 g/mol  logS: -2.92923  SlogP: 2.6945  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00750755  Sterimol/B1: 2.097  Sterimol/B2: 2.81674  Sterimol/B3: 3.07272
  Sterimol/B4: 5.3941  Sterimol/L: 17.6835 
 
 Surface and Volume Properties
  Accessible surface: 507.35  Positive charged surface: 300.386  Negative charged surface: 206.964  Volume: 251.25
  Hydrophobic surface: 362.973  Hydrophilic surface: 144.377
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.