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CHEMDIV-ZINC02952812

 MMsINC code: MMs00897538
Type: Neutral
Formula: C17H12ClFN2O4
SMILES:   Clc1cc(NC(=O)C2=Cc3c(OC2=O)c(ncc3CO)C)ccc1F
InChI:   InChI=1/C17H12ClFN2O4/c1-8-15-11(9(7-22)6-20-8)5-12(17(24)25-15)16(23)21-10-2-3-14(19)13(18)4-10/h2-6,22H,7H2,1H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=84.5126 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.744 g/mol  logS: -4.63256  SlogP: 2.88232  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0149313  Sterimol/B1: 2.00428  Sterimol/B2: 2.75884  Sterimol/B3: 2.93449
  Sterimol/B4: 8.60315  Sterimol/L: 16.2614 
 
 Surface and Volume Properties
  Accessible surface: 570.722  Positive charged surface: 306.87  Negative charged surface: 263.852  Volume: 299.375
  Hydrophobic surface: 419.469  Hydrophilic surface: 151.253
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.