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CHEMDIV-ZINC04821737

 MMsINC code: MMs00958256
Type: Neutral
Formula: C19H16ClFN2O3
SMILES:   Clc1cc(NC(=O)Cc2c3cc(ccc3n(C)c2C(O)=O)C)ccc1F
InChI:   InChI=1/C19H16ClFN2O3/c1-10-3-6-16-12(7-10)13(18(19(25)26)23(16)2)9-17(24)22-11-4-5-15(21)14(20)8-11/h3-8H,9H2,1-2H3,(H,22,24)(H,25,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.4839 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.799 g/mol  logS: -5.22576  SlogP: 4.51779  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115636  Sterimol/B1: 1.969  Sterimol/B2: 3.75999  Sterimol/B3: 4.24563
  Sterimol/B4: 10.5015  Sterimol/L: 15.4552 
 
 Surface and Volume Properties
  Accessible surface: 605.079  Positive charged surface: 330.052  Negative charged surface: 271.639  Volume: 328
  Hydrophobic surface: 495.25  Hydrophilic surface: 109.829
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00958257
CHEMDIV-ZINC04821737