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PUBCHEM-ZINC00359210

 MMsINC code: MMs02662257
Type: Neutral
Formula: C10H16N2O2
SMILES:   O=C1NCCN(C1)C(=O)C1CCCC1
InChI:   InChI=1/C10H16N2O2/c13-9-7-12(6-5-11-9)10(14)8-3-1-2-4-8/h8H,1-7H2,(H,11,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.828 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.25 g/mol  logS: -1.31783  SlogP: 0.135  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100638  Sterimol/B1: 2.99388  Sterimol/B2: 3.36852  Sterimol/B3: 3.49973
  Sterimol/B4: 4.8806  Sterimol/L: 11.7145 
 
 Surface and Volume Properties
  Accessible surface: 397.717  Positive charged surface: 301.937  Negative charged surface: 95.7802  Volume: 191.75
  Hydrophobic surface: 288.977  Hydrophilic surface: 108.74
 
 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.