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ASINEX-ZINC01365247

 MMsINC code: MMs00248484
Type: Neutral
Formula: C19H19N3O4
SMILES:   O(C)c1ccc(OC)cc1NC(=O)CN1N=C(c2c(cccc2)C1=O)C
InChI:   InChI=1/C19H19N3O4/c1-12-14-6-4-5-7-15(14)19(24)22(21-12)11-18(23)20-16-10-13(25-2)8-9-17(16)26-3/h4-10H,11H2,1-3H3,(H,20,23)

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Potential Energy
Epot(MMFF94)=129.532 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.378 g/mol  logS: -4.19001  SlogP: 2.5223  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104544  Sterimol/B1: 2.15674  Sterimol/B2: 4.86646  Sterimol/B3: 6.97058
  Sterimol/B4: 7.1079  Sterimol/L: 16.1821 
 
 Surface and Volume Properties
  Accessible surface: 622.141  Positive charged surface: 432.909  Negative charged surface: 189.232  Volume: 330.25
  Hydrophobic surface: 517.786  Hydrophilic surface: 104.355
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.