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PUBCHEM-ZINC02003365

 MMsINC code: MMs02844862
Type: Neutral
Formula: C14H20N2O2
SMILES:   O=C(C)c1ccc(NC(=O)CN(CC)CC)cc1
InChI:   InChI=1/C14H20N2O2/c1-4-16(5-2)10-14(18)15-13-8-6-12(7-9-13)11(3)17/h6-9H,4-5,10H2,1-3H3,(H,15,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.4802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.326 g/mol  logS: -2.45155  SlogP: 2.1695  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0738603  Sterimol/B1: 2.27181  Sterimol/B2: 3.07876  Sterimol/B3: 5.11465
  Sterimol/B4: 5.50135  Sterimol/L: 15.2177 
 
 Surface and Volume Properties
  Accessible surface: 509.05  Positive charged surface: 340.344  Negative charged surface: 168.706  Volume: 256.75
  Hydrophobic surface: 388.921  Hydrophilic surface: 120.129
 
 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


MMs02844863
PUBCHEM-ZINC02003365