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PUBCHEM-ZINC02750614

 MMsINC code: MMs02916587
Type: Neutral
Formula: C8H14N2O4
SMILES:   O1CCN(NC(=O)CCC(O)=O)CC1
InChI:   InChI=1/C8H14N2O4/c11-7(1-2-8(12)13)9-10-3-5-14-6-4-10/h1-6H2,(H,9,11)(H,12,13)

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Potential Energy
Epot(MMFF94)=36.0331 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.21 g/mol  logS: 0.41286  SlogP: -0.7854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0718463  Sterimol/B1: 2.36527  Sterimol/B2: 2.68459  Sterimol/B3: 3.44138
  Sterimol/B4: 4.79361  Sterimol/L: 13.9965 
 
 Surface and Volume Properties
  Accessible surface: 415.895  Positive charged surface: 321.526  Negative charged surface: 94.3689  Volume: 183.625
  Hydrophobic surface: 258.501  Hydrophilic surface: 157.394
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs02916588
PUBCHEM-ZINC02750614