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ASINEX-ZINC00792444

 MMsINC code: MMs00165280
Type: Neutral
Formula: C19H13NO3
SMILES:   Oc1cc(C)c(N2C(=O)c3c4c(cccc4ccc3)C2=O)cc1
InChI:   InChI=1/C19H13NO3/c1-11-10-13(21)8-9-16(11)20-18(22)14-6-2-4-12-5-3-7-15(17(12)14)19(20)23/h2-10,21H,1H3

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Potential Energy
Epot(MMFF94)=99.1227 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.317 g/mol  logS: -5.43499  SlogP: 3.65442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114411  Sterimol/B1: 2.22263  Sterimol/B2: 4.74437  Sterimol/B3: 4.96068
  Sterimol/B4: 6.23931  Sterimol/L: 14.8059 
 
 Surface and Volume Properties
  Accessible surface: 502.143  Positive charged surface: 264.761  Negative charged surface: 227.158  Volume: 280.125
  Hydrophobic surface: 402.342  Hydrophilic surface: 99.801
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.