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PUBCHEM-ZINC01893718

 MMsINC code: MMs02828834
Type: Neutral
Formula: C15H21NO4
SMILES:   Oc1ccccc1C(=O)NCCCCCCCC(O)=O
InChI:   InChI=1/C15H21NO4/c17-13-9-6-5-8-12(13)15(20)16-11-7-3-1-2-4-10-14(18)19/h5-6,8-9,17H,1-4,7,10-11H2,(H,16,20)(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.2814 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.336 g/mol  logS: -2.68257  SlogP: 2.5472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0110116  Sterimol/B1: 2.39476  Sterimol/B2: 2.49421  Sterimol/B3: 2.56405
  Sterimol/B4: 5.90849  Sterimol/L: 20.4471 
 
 Surface and Volume Properties
  Accessible surface: 574.473  Positive charged surface: 387.751  Negative charged surface: 186.721  Volume: 276.75
  Hydrophobic surface: 394.245  Hydrophilic surface: 180.228
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02828835
PUBCHEM-ZINC01893718