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PUBCHEM-ZINC02034915

 MMsINC code: MMs02860791
Type: Neutral
Formula: C21H25FN2O2
SMILES:   Fc1cc(NC(=O)N(CC(O)c2ccccc2)C2CCCCC2)ccc1
InChI:   InChI=1/C21H25FN2O2/c22-17-10-7-11-18(14-17)23-21(26)24(19-12-5-2-6-13-19)15-20(25)16-8-3-1-4-9-16/h1,3-4,7-11,14,19-20,25H,2,5-6,12-13,15H2,(H,23,26)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.931 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.441 g/mol  logS: -4.65368  SlogP: 4.8214  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0675061  Sterimol/B1: 3.67878  Sterimol/B2: 3.87066  Sterimol/B3: 5.54729
  Sterimol/B4: 7.21756  Sterimol/L: 16.6686 
 
 Surface and Volume Properties
  Accessible surface: 606.144  Positive charged surface: 363.565  Negative charged surface: 242.58  Volume: 347.25
  Hydrophobic surface: 568.731  Hydrophilic surface: 37.413
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.