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APOLLO-ZINC02567127

 MMsINC code: MMs00054289
Type: Neutral
Formula: C16H13Cl2F3N2O2
SMILES:   Clc1cc(cnc1Oc1ccc(NC(=O)CCCCl)cc1)C(F)(F)F
InChI:   InChI=1/C16H13Cl2F3N2O2/c17-7-1-2-14(24)23-11-3-5-12(6-4-11)25-15-13(18)8-10(9-22-15)16(19,20)21/h3-6,8-9H,1-2,7H2,(H,23,24)

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Potential Energy
Epot(MMFF94)=79.2882 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.192 g/mol  logS: -5.06261  SlogP: 5.8151  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0406833  Sterimol/B1: 3.26452  Sterimol/B2: 3.70585  Sterimol/B3: 4.54561
  Sterimol/B4: 4.58106  Sterimol/L: 19.2875 
 
 Surface and Volume Properties
  Accessible surface: 617.404  Positive charged surface: 276.24  Negative charged surface: 341.164  Volume: 313.375
  Hydrophobic surface: 389.927  Hydrophilic surface: 227.477
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.