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NCID-ZINC01649099

 MMsINC code: MMs02289136
Type: Neutral
Formula: C15H23NO2
SMILES:   OC(=O)c1ccc(N(CCCC)CCCC)cc1
InChI:   InChI=1/C15H23NO2/c1-3-5-11-16(12-6-4-2)14-9-7-13(8-10-14)15(17)18/h7-10H,3-6,11-12H2,1-2H3,(H,17,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.2248 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.354 g/mol  logS: -3.37009  SlogP: 3.7914  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0943814  Sterimol/B1: 2.41355  Sterimol/B2: 2.44676  Sterimol/B3: 3.55704
  Sterimol/B4: 10.6451  Sterimol/L: 14.1035 
 
 Surface and Volume Properties
  Accessible surface: 526.408  Positive charged surface: 363.345  Negative charged surface: 163.063  Volume: 272
  Hydrophobic surface: 373.958  Hydrophilic surface: 152.45
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02289137
NCID-ZINC01649099