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PUBCHEM-ZINC05668115

 MMsINC code: MMs03340820
Type: Neutral
Formula: C7H14N2O2
SMILES:   O1CCN(CC1)C(=O)N(C)C
InChI:   InChI=1/C7H14N2O2/c1-8(2)7(10)9-3-5-11-6-4-9/h3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.7243 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.201 g/mol  logS: 0.31617  SlogP: 0.0002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134347  Sterimol/B1: 2.69818  Sterimol/B2: 3.10247  Sterimol/B3: 3.68261
  Sterimol/B4: 4.73419  Sterimol/L: 10.4096 
 
 Surface and Volume Properties
  Accessible surface: 343.387  Positive charged surface: 307.292  Negative charged surface: 36.095  Volume: 155.5
  Hydrophobic surface: 297.151  Hydrophilic surface: 46.236
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.