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NCID-ZINC01695290

 MMsINC code: MMs02326312
Type: Neutral
Formula: C8H14N2O2
SMILES:   O=C1N(CCCCC)C(=O)NC1
InChI:   InChI=1/C8H14N2O2/c1-2-3-4-5-10-7(11)6-9-8(10)12/h2-6H2,1H3,(H,9,12)

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Potential Energy
Epot(MMFF94)=-15.342 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.212 g/mol  logS: -1.59391  SlogP: 0.7284  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0769452  Sterimol/B1: 2.75676  Sterimol/B2: 3.24247  Sterimol/B3: 3.94513
  Sterimol/B4: 4.04143  Sterimol/L: 12.7799 
 
 Surface and Volume Properties
  Accessible surface: 386.895  Positive charged surface: 285.131  Negative charged surface: 101.764  Volume: 171
  Hydrophobic surface: 229.822  Hydrophilic surface: 157.073
 
 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.