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CHEMBRIDGE-ZINC00406258

 MMsINC code: MMs00612205
Type: Neutral
Formula: C17H13FN2O3
SMILES:   Fc1cc(NC(=O)CC=2C(=O)Nc3c(cccc3)C=2O)ccc1
InChI:   InChI=1/C17H13FN2O3/c18-10-4-3-5-11(8-10)19-15(21)9-13-16(22)12-6-1-2-7-14(12)20-17(13)23/h1-8H,9H2,(H,19,21)(H2,20,22,23)

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Potential Energy
Epot(MMFF94)=63.6184 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.3 g/mol  logS: -4.07219  SlogP: 3.0757  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104951  Sterimol/B1: 2.18514  Sterimol/B2: 3.20282  Sterimol/B3: 4.67254
  Sterimol/B4: 5.67392  Sterimol/L: 16.2881 
 
 Surface and Volume Properties
  Accessible surface: 526.243  Positive charged surface: 288.52  Negative charged surface: 237.723  Volume: 276.25
  Hydrophobic surface: 398.81  Hydrophilic surface: 127.433
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.