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CHEMDIV-ZINC06818567

 MMsINC code: MMs01042080
Type: Neutral
Formula: C16H10Cl2N2O3
SMILES:   Clc1cccc(Cl)c1NC(=O)c1noc(c1)-c1cc(O)ccc1
InChI:   InChI=1/C16H10Cl2N2O3/c17-11-5-2-6-12(18)15(11)19-16(22)13-8-14(23-20-13)9-3-1-4-10(21)7-9/h1-8,21H,(H,19,22)

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Potential Energy
Epot(MMFF94)=98.5829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.173 g/mol  logS: -5.65595  SlogP: 4.6063  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0423055  Sterimol/B1: 2.51778  Sterimol/B2: 4.7385  Sterimol/B3: 4.75914
  Sterimol/B4: 5.18082  Sterimol/L: 17.7655 
 
 Surface and Volume Properties
  Accessible surface: 559.921  Positive charged surface: 230.241  Negative charged surface: 329.68  Volume: 289.125
  Hydrophobic surface: 443.529  Hydrophilic surface: 116.392
 
 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.