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PUBCHEM-ZINC06251874

 MMsINC code: MMs03639284
Type: Neutral
Formula: C19H19ClFNO2
SMILES:   Clc1ccc(cc1)C(N1CCCCC1C(O)=O)c1ccccc1F
InChI:   InChI=1/C19H19ClFNO2/c20-14-10-8-13(9-11-14)18(15-5-1-2-6-16(15)21)22-12-4-3-7-17(22)19(23)24/h1-2,5-6,8-11,17-18H,3-4,7,12H2,(H,23,24)/t17-,18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.391 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.817 g/mol  logS: -4.80349  SlogP: 4.6031  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.391382  Sterimol/B1: 3.34956  Sterimol/B2: 4.23722  Sterimol/B3: 5.23652
  Sterimol/B4: 7.8995  Sterimol/L: 13.157 
 
 Surface and Volume Properties
  Accessible surface: 541.21  Positive charged surface: 290.98  Negative charged surface: 250.23  Volume: 313.625
  Hydrophobic surface: 466.563  Hydrophilic surface: 74.647
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.