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PUBCHEM-ZINC01997239

 MMsINC code: MMs02839965
Type: Neutral
Formula: C15H24N2O2
SMILES:   O(CCN(CC)CC)C(=O)NCCc1ccccc1
InChI:   InChI=1/C15H24N2O2/c1-3-17(4-2)12-13-19-15(18)16-11-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,16,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.5344 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.369 g/mol  logS: -2.22161  SlogP: 2.29707  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0565654  Sterimol/B1: 2.56468  Sterimol/B2: 3.21963  Sterimol/B3: 4.74369
  Sterimol/B4: 5.12722  Sterimol/L: 17.7971 
 
 Surface and Volume Properties
  Accessible surface: 570.121  Positive charged surface: 406.851  Negative charged surface: 163.27  Volume: 284.875
  Hydrophobic surface: 464.054  Hydrophilic surface: 106.067
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs02839966
PUBCHEM-ZINC01997239