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CHEMBRIDGE-ZINC00436637

 MMsINC code: MMs00614578
Type: Neutral
Formula: C8H14N2O2
SMILES:   O=C1N(CCCCC1)CC(=O)N
InChI:   InChI=1/C8H14N2O2/c9-7(11)6-10-5-3-1-2-4-8(10)12/h1-6H2,(H2,9,11)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.4099 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.212 g/mol  logS: -0.57175  SlogP: -0.1257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129412  Sterimol/B1: 3.046  Sterimol/B2: 3.18269  Sterimol/B3: 3.35716
  Sterimol/B4: 4.74817  Sterimol/L: 11.1127 
 
 Surface and Volume Properties
  Accessible surface: 357.375  Positive charged surface: 259.015  Negative charged surface: 98.3598  Volume: 166.5
  Hydrophobic surface: 219.829  Hydrophilic surface: 137.546
 
 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.