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PUBCHEM-ZINC05754943

 MMsINC code: MMs03372048
Type: Neutral
Formula: C14H19NO3
SMILES:   OC(=O)CCCCCNC(=O)c1cc(ccc1)C
InChI:   InChI=1/C14H19NO3/c1-11-6-5-7-12(10-11)14(18)15-9-4-2-3-8-13(16)17/h5-7,10H,2-4,8-9H2,1H3,(H,15,18)(H,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.9986 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.31 g/mol  logS: -2.488  SlogP: 2.36982  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0115473  Sterimol/B1: 2.37803  Sterimol/B2: 2.51233  Sterimol/B3: 2.97045
  Sterimol/B4: 5.38352  Sterimol/L: 19.0662 
 
 Surface and Volume Properties
  Accessible surface: 532.764  Positive charged surface: 345.728  Negative charged surface: 187.035  Volume: 252.875
  Hydrophobic surface: 387.119  Hydrophilic surface: 145.645
 
 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


MMs03372049
PUBCHEM-ZINC05754943