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PUBCHEM-ZINC01995379

 MMsINC code: MMs02838604
Type: Neutral
Formula: C16H24N2O3
SMILES:   O1CCN(CC1)CCCNC(=O)c1ccccc1OCC
InChI:   InChI=1/C16H24N2O3/c1-2-21-15-7-4-3-6-14(15)16(19)17-8-5-9-18-10-12-20-13-11-18/h3-4,6-7H,2,5,8-13H2,1H3,(H,17,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.9104 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.379 g/mol  logS: -2.29974  SlogP: 1.5374  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0237895  Sterimol/B1: 1.969  Sterimol/B2: 3.0097  Sterimol/B3: 3.28115
  Sterimol/B4: 8.43934  Sterimol/L: 17.6298 
 
 Surface and Volume Properties
  Accessible surface: 578.742  Positive charged surface: 453.016  Negative charged surface: 125.726  Volume: 297.625
  Hydrophobic surface: 504.206  Hydrophilic surface: 74.536
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02838605
PUBCHEM-ZINC01995379