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ENAMINE-ZINC03242622

 MMsINC code: MMs01325740
Type: Neutral
Formula: C18H16ClF2NO3
SMILES:   Clc1cccc(N2C(C(F)(F)C2=O)c2cc(OC)c(OC)cc2)c1C
InChI:   InChI=1/C18H16ClF2NO3/c1-10-12(19)5-4-6-13(10)22-16(18(20,21)17(22)23)11-7-8-14(24-2)15(9-11)25-3/h4-9,16H,1-3H3/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=138.638 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.779 g/mol  logS: -5.09658  SlogP: 4.90422  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.241055  Sterimol/B1: 3.53684  Sterimol/B2: 4.01782  Sterimol/B3: 5.26395
  Sterimol/B4: 6.43698  Sterimol/L: 14.6713 
 
 Surface and Volume Properties
  Accessible surface: 572.591  Positive charged surface: 304.342  Negative charged surface: 261.223  Volume: 316.5
  Hydrophobic surface: 451.615  Hydrophilic surface: 120.976
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.