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APOLLO-ZINC04289427

 MMsINC code: MMs00058707
Type: Neutral
Formula: C15H14Cl2N2O3
SMILES:   Clc1ncc(Cl)cc1C(=O)NCCOc1ccc(OC)cc1
InChI:   InChI=1/C15H14Cl2N2O3/c1-21-11-2-4-12(5-3-11)22-7-6-18-15(20)13-8-10(16)9-19-14(13)17/h2-5,8-9H,6-7H2,1H3,(H,18,20)

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Potential Energy
Epot(MMFF94)=81.3531 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.194 g/mol  logS: -3.94781  SlogP: 3.2058  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0467007  Sterimol/B1: 2.42517  Sterimol/B2: 4.62865  Sterimol/B3: 5.05934
  Sterimol/B4: 5.26061  Sterimol/L: 17.3868 
 
 Surface and Volume Properties
  Accessible surface: 582.957  Positive charged surface: 326.61  Negative charged surface: 256.347  Volume: 292.5
  Hydrophobic surface: 511.118  Hydrophilic surface: 71.839
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.