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IFLAB-ZINC02456625

 MMsINC code: MMs01989826
Type: Neutral
Formula: C8H14N2O3
SMILES:   OC(=O)CN1CCN(CC1)C(=O)C
InChI:   InChI=1/C8H14N2O3/c1-7(11)10-4-2-9(3-5-10)6-8(12)13/h2-6H2,1H3,(H,12,13)

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Potential Energy
Epot(MMFF94)=53.5557 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.211 g/mol  logS: 0.29295  SlogP: -0.7649  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0846419  Sterimol/B1: 2.21426  Sterimol/B2: 2.63506  Sterimol/B3: 3.47167
  Sterimol/B4: 5.02769  Sterimol/L: 12.5276 
 
 Surface and Volume Properties
  Accessible surface: 376.304  Positive charged surface: 278.737  Negative charged surface: 97.5666  Volume: 178.25
  Hydrophobic surface: 242.018  Hydrophilic surface: 134.286
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.