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IBS-ZINC00548981

 MMsINC code: MMs01753464
Type: Neutral
Formula: C15H11N3O5
SMILES:   O1C=C(\C=N\C=2NC(=O)NC(=O)C=2)C(=O)c2cc(OC)ccc12
InChI:   InChI=1/C15H11N3O5/c1-22-9-2-3-11-10(4-9)14(20)8(7-23-11)6-16-12-5-13(19)18-15(21)17-12/h2-7H,1H3,(H2,17,18,19,21)/b16-6+

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Potential Energy
Epot(MMFF94)=31.1698 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.269 g/mol  logS: -3.84635  SlogP: 0.9058  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00253751  Sterimol/B1: 2.3495  Sterimol/B2: 2.39888  Sterimol/B3: 3.19263
  Sterimol/B4: 6.07649  Sterimol/L: 17.3058 
 
 Surface and Volume Properties
  Accessible surface: 522.869  Positive charged surface: 316.199  Negative charged surface: 206.67  Volume: 265.375
  Hydrophobic surface: 288.469  Hydrophilic surface: 234.4
 
 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.