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ENAMINE-ZINC05270727

 MMsINC code: MMs01606614
Type: Neutral
Formula: C19H15N3O4
SMILES:   O=C1N(CCOC(=O)c2nc3n(c2)C=CC(=C3)C)C(=O)c2c1cccc2
InChI:   InChI=1/C19H15N3O4/c1-12-6-7-21-11-15(20-16(21)10-12)19(25)26-9-8-22-17(23)13-4-2-3-5-14(13)18(22)24/h2-7,10-11H,8-9H2,1H3

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Potential Energy
Epot(MMFF94)=67.6607 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.346 g/mol  logS: -3.82496  SlogP: 2.2237  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0661224  Sterimol/B1: 3.10707  Sterimol/B2: 3.6109  Sterimol/B3: 4.04986
  Sterimol/B4: 7.75202  Sterimol/L: 15.8793 
 
 Surface and Volume Properties
  Accessible surface: 602.492  Positive charged surface: 347.117  Negative charged surface: 255.375  Volume: 318.75
  Hydrophobic surface: 469.945  Hydrophilic surface: 132.547
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.