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PUBCHEM-ZINC03756911

MMsINC code: MMs03071523

Type: Ionized
Formula: C17H7Cl2F3NO2-
SMILES:   Clc1cc(Cl)cc2c1nc(cc2C(=O)[O-])-c1ccccc1C(F)(F)F
InChI:   InChI=1/C17H8Cl2F3NO2/c18-8-5-10-11(16(24)25)7-14(23-15(10)13(19)6-8)9-3-1-2-4-12(9)17(20,21)22/h1-7H,(H,24,25)/p-1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=72.8549 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.148 g/mol  logS: -7.12358  SlogP: 4.9024  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0830814  Sterimol/B1: 2.23541  Sterimol/B2: 4.19209  Sterimol/B3: 4.67331
  Sterimol/B4: 6.52198  Sterimol/L: 15.4616 
 
 Surface and Volume Properties
  Accessible surface: 527.109  Positive charged surface: 151.809  Negative charged surface: 367.457  Volume: 292.875
  Hydrophobic surface: 363.436  Hydrophilic surface: 163.673
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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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MMs03071522
PUBCHEM-ZINC03756911