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CHEMDIV-ZINC04960509

 MMsINC code: MMs00974040
Type: Neutral
Formula: C13H9ClN2O2
SMILES:   Clc1ccc(nc1)N1C(O)c2c(cccc2)C1=O
InChI:   InChI=1/C13H9ClN2O2/c14-8-5-6-11(15-7-8)16-12(17)9-3-1-2-4-10(9)13(16)18/h1-7,12,17H/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=49.2578 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.68 g/mol  logS: -2.83688  SlogP: 2.4818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0132487  Sterimol/B1: 2.41615  Sterimol/B2: 2.90588  Sterimol/B3: 3.27565
  Sterimol/B4: 4.6889  Sterimol/L: 14.9619 
 
 Surface and Volume Properties
  Accessible surface: 447.477  Positive charged surface: 219.534  Negative charged surface: 227.943  Volume: 223.25
  Hydrophobic surface: 358.758  Hydrophilic surface: 88.719
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.