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CHEMDIV-ZINC02465961

 MMsINC code: MMs00878272
Type: Neutral
Formula: C18H13ClN2O3
SMILES:   Clc1cc(NC(=O)c2noc-3c2CCc2c-3cccc2)c(O)cc1
InChI:   InChI=1/C18H13ClN2O3/c19-11-6-8-15(22)14(9-11)20-18(23)16-13-7-5-10-3-1-2-4-12(10)17(13)24-21-16/h1-4,6,8-9,22H,5,7H2,(H,20,23)

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Potential Energy
Epot(MMFF94)=98.9134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.766 g/mol  logS: -5.45401  SlogP: 4.05144  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0249014  Sterimol/B1: 3.2454  Sterimol/B2: 3.30365  Sterimol/B3: 4.29761
  Sterimol/B4: 4.94026  Sterimol/L: 17.5178 
 
 Surface and Volume Properties
  Accessible surface: 562.965  Positive charged surface: 294.841  Negative charged surface: 268.124  Volume: 295.875
  Hydrophobic surface: 449.783  Hydrophilic surface: 113.182
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.