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ENAMINE-ZINC03408097

 MMsINC code: MMs01424034
Type: Neutral
Formula: C17H10ClF3N2O3
SMILES:   Clc1cc(cnc1Oc1ccc(NC(=O)c2occc2)cc1)C(F)(F)F
InChI:   InChI=1/C17H10ClF3N2O3/c18-13-8-10(17(19,20)21)9-22-16(13)26-12-5-3-11(4-6-12)23-15(24)14-2-1-7-25-14/h1-9H,(H,23,24)

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Potential Energy
Epot(MMFF94)=89.2717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.725 g/mol  logS: -5.73311  SlogP: 5.7029  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0496418  Sterimol/B1: 3.28906  Sterimol/B2: 3.43528  Sterimol/B3: 3.8174
  Sterimol/B4: 5.8449  Sterimol/L: 18.7758 
 
 Surface and Volume Properties
  Accessible surface: 592.45  Positive charged surface: 246.487  Negative charged surface: 345.963  Volume: 303.125
  Hydrophobic surface: 427.911  Hydrophilic surface: 164.539
 
 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.