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PUBCHEM-ZINC01078438

 MMsINC code: MMs02765468
Type: Neutral
Formula: C15H18FNO3
SMILES:   Fc1cc(NC(=O)C2CCCCC2C(O)=O)ccc1C
InChI:   InChI=1/C15H18FNO3/c1-9-6-7-10(8-13(9)16)17-14(18)11-4-2-3-5-12(11)15(19)20/h6-8,11-12H,2-5H2,1H3,(H,17,18)(H,19,20)/t11-,12+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.1854 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.311 g/mol  logS: -3.13404  SlogP: 2.96362  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0956206  Sterimol/B1: 3.33455  Sterimol/B2: 4.24435  Sterimol/B3: 4.87655
  Sterimol/B4: 4.96264  Sterimol/L: 13.6841 
 
 Surface and Volume Properties
  Accessible surface: 488.839  Positive charged surface: 314.754  Negative charged surface: 174.084  Volume: 260.125
  Hydrophobic surface: 393.169  Hydrophilic surface: 95.67
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02765469
PUBCHEM-ZINC01078438