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ENAMINE-ZINC07058287

 MMsINC code: MMs01721308
Type: Neutral
Formula: C19H16N2O4
SMILES:   O(C)c1cc(C(=O)c2cn(nc2)C(=O)c2ccc(cc2)C)c(O)cc1
InChI:   InChI=1/C19H16N2O4/c1-12-3-5-13(6-4-12)19(24)21-11-14(10-20-21)18(23)16-9-15(25-2)7-8-17(16)22/h3-11,22H,1-2H3

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Potential Energy
Epot(MMFF94)=124.595 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.347 g/mol  logS: -4.1053  SlogP: 2.82522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0497085  Sterimol/B1: 2.4745  Sterimol/B2: 3.67304  Sterimol/B3: 4.06831
  Sterimol/B4: 6.90356  Sterimol/L: 18.2624 
 
 Surface and Volume Properties
  Accessible surface: 597.887  Positive charged surface: 356.335  Negative charged surface: 241.552  Volume: 312.5
  Hydrophobic surface: 449.815  Hydrophilic surface: 148.072
 
 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.