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PUBCHEM-ZINC05756160

 MMsINC code: MMs03372142
Type: Neutral
Formula: C15H22N2O2
SMILES:   O1CCN(CC1)CCCNC(=O)c1ccccc1C
InChI:   InChI=1/C15H22N2O2/c1-13-5-2-3-6-14(13)15(18)16-7-4-8-17-9-11-19-12-10-17/h2-3,5-6H,4,7-12H2,1H3,(H,16,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.7318 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.353 g/mol  logS: -2.39607  SlogP: 1.44712  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0293288  Sterimol/B1: 2.03881  Sterimol/B2: 2.88551  Sterimol/B3: 3.41849
  Sterimol/B4: 6.72902  Sterimol/L: 16.9765 
 
 Surface and Volume Properties
  Accessible surface: 528.13  Positive charged surface: 402.371  Negative charged surface: 125.759  Volume: 273.25
  Hydrophobic surface: 482.209  Hydrophilic surface: 45.921
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs03372143
PUBCHEM-ZINC05756160