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PUBCHEM-ZINC05502775

 MMsINC code: MMs03289752
Type: Neutral
Formula: C10H20N2O2
SMILES:   O1CCN(CC1)C(=O)NCCCCC
InChI:   InChI=1/C10H20N2O2/c1-2-3-4-5-11-10(13)12-6-8-14-9-7-12/h2-9H2,1H3,(H,11,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.52826 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -1.34924  SlogP: 1.2184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0417997  Sterimol/B1: 2.92983  Sterimol/B2: 3.41673  Sterimol/B3: 3.92266
  Sterimol/B4: 4.17352  Sterimol/L: 15.425 
 
 Surface and Volume Properties
  Accessible surface: 452.532  Positive charged surface: 378.229  Negative charged surface: 74.3027  Volume: 212
  Hydrophobic surface: 374.745  Hydrophilic surface: 77.787
 
 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: no related molecules available.