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IBS-ZINC00517177

 MMsINC code: MMs01743725
Type: Neutral
Formula: C7H12N2O2
SMILES:   O=C1N(CCCC1)CC(=O)N
InChI:   InChI=1/C7H12N2O2/c8-6(10)5-9-4-2-1-3-7(9)11/h1-5H2,(H2,8,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.7846 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.185 g/mol  logS: -0.36998  SlogP: -0.5158  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142299  Sterimol/B1: 2.71115  Sterimol/B2: 3.53787  Sterimol/B3: 3.6533
  Sterimol/B4: 3.78176  Sterimol/L: 10.7348 
 
 Surface and Volume Properties
  Accessible surface: 336.217  Positive charged surface: 251.057  Negative charged surface: 85.1605  Volume: 149.875
  Hydrophobic surface: 196.169  Hydrophilic surface: 140.048
 
 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.