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PUBCHEM-ZINC04828876

 MMsINC code: MMs03176468
Type: Neutral
Formula: C14H20N2O2
SMILES:   O1CCN(CC1)CCNC(=O)c1cc(ccc1)C
InChI:   InChI=1/C14H20N2O2/c1-12-3-2-4-13(11-12)14(17)15-5-6-16-7-9-18-10-8-16/h2-4,11H,5-10H2,1H3,(H,15,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.9822 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.326 g/mol  logS: -2.1943  SlogP: 1.05702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0261908  Sterimol/B1: 2.50318  Sterimol/B2: 2.8516  Sterimol/B3: 3.41408
  Sterimol/B4: 5.54204  Sterimol/L: 16.7496 
 
 Surface and Volume Properties
  Accessible surface: 511.835  Positive charged surface: 375.596  Negative charged surface: 136.239  Volume: 254.875
  Hydrophobic surface: 453.353  Hydrophilic surface: 58.482
 
 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


MMs03176469
PUBCHEM-ZINC04828876