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CHEMDIV-ZINC03907777

 MMsINC code: MMs00919837
Type: Neutral
Formula: C16H11ClN2O4
SMILES:   Clc1cc(NC(=O)c2noc(c2)-c2ccc(O)cc2)c(O)cc1
InChI:   InChI=1/C16H11ClN2O4/c17-10-3-6-14(21)12(7-10)18-16(22)13-8-15(23-19-13)9-1-4-11(20)5-2-9/h1-8,20-21H,(H,18,22)

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Potential Energy
Epot(MMFF94)=88.1695 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.727 g/mol  logS: -4.55971  SlogP: 3.6585  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0104027  Sterimol/B1: 2.41163  Sterimol/B2: 2.91382  Sterimol/B3: 2.92651
  Sterimol/B4: 6.49821  Sterimol/L: 18.3279 
 
 Surface and Volume Properties
  Accessible surface: 549.26  Positive charged surface: 262.04  Negative charged surface: 287.22  Volume: 279.375
  Hydrophobic surface: 381.534  Hydrophilic surface: 167.726
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.