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ENAMINE-ZINC03559633

 MMsINC code: MMs01508248
Type: Neutral
Formula: C16H12N2O3
SMILES:   o1c2c(cc1C(=O)NNC(=O)c1ccccc1)cccc2
InChI:   InChI=1/C16H12N2O3/c19-15(11-6-2-1-3-7-11)17-18-16(20)14-10-12-8-4-5-9-13(12)21-14/h1-10H,(H,17,19)(H,18,20)

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Potential Energy
Epot(MMFF94)=73.6678 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.283 g/mol  logS: -5.18165  SlogP: 2.5076  Reactive groups: 0
 
 Topological Properties
  Globularity: 6.2455e-08  Sterimol/B1: 2.097  Sterimol/B2: 2.09958  Sterimol/B3: 3.83995
  Sterimol/B4: 4.3647  Sterimol/L: 18.3943 
 
 Surface and Volume Properties
  Accessible surface: 519.769  Positive charged surface: 265.064  Negative charged surface: 249.077  Volume: 262.25
  Hydrophobic surface: 411.871  Hydrophilic surface: 107.898
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.