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PUBCHEM-ZINC05741316

 MMsINC code: MMs03368279
Type: Neutral
Formula: C20H15N3O4
SMILES:   OC1CC=CC=C1NC(=O)c1cc2c(cc1)C(=O)N(C2=O)c1ncccc1
InChI:   InChI=1/C20H15N3O4/c24-16-6-2-1-5-15(16)22-18(25)12-8-9-13-14(11-12)20(27)23(19(13)26)17-7-3-4-10-21-17/h1-5,7-11,16,24H,6H2,(H,22,25)/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=105.761 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.357 g/mol  logS: -3.86325  SlogP: 1.8167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0243568  Sterimol/B1: 3.47285  Sterimol/B2: 3.94304  Sterimol/B3: 4.03539
  Sterimol/B4: 4.73266  Sterimol/L: 20.1954 
 
 Surface and Volume Properties
  Accessible surface: 593.654  Positive charged surface: 343.731  Negative charged surface: 249.923  Volume: 323.25
  Hydrophobic surface: 421.218  Hydrophilic surface: 172.436
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: no related molecules available.