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CHEMBRIDGE-ZINC02906843

 MMsINC code: MMs00740440
Type: Neutral
Formula: C17H15Cl2FN2O2
SMILES:   Clc1cc(Cl)ccc1OCCCC(=O)N\N=C\c1cc(F)ccc1
InChI:   InChI=1/C17H15Cl2FN2O2/c18-13-6-7-16(15(19)10-13)24-8-2-5-17(23)22-21-11-12-3-1-4-14(20)9-12/h1,3-4,6-7,9-11H,2,5,8H2,(H,22,23)/b21-11+

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Potential Energy
Epot(MMFF94)=76.7454 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.223 g/mol  logS: -5.46222  SlogP: 4.4418  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00390564  Sterimol/B1: 2.37553  Sterimol/B2: 2.37553  Sterimol/B3: 3.1825
  Sterimol/B4: 5.78448  Sterimol/L: 22.2394 
 
 Surface and Volume Properties
  Accessible surface: 634.096  Positive charged surface: 304.822  Negative charged surface: 329.274  Volume: 323.125
  Hydrophobic surface: 554.196  Hydrophilic surface: 79.9
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.