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PUBCHEM-ZINC04202762

 MMsINC code: MMs03099019
Type: Neutral
Formula: C6H11NO2
SMILES:   O(C(=O)C1CCNC1)C
InChI:   InChI=1/C6H11NO2/c1-9-6(8)5-2-3-7-4-5/h5,7H,2-4H2,1H3/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=9.92629 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 129.159 g/mol  logS: 0.12726  SlogP: -0.2311  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0971349  Sterimol/B1: 2.64084  Sterimol/B2: 3.33252  Sterimol/B3: 3.45702
  Sterimol/B4: 3.48253  Sterimol/L: 10.5269 
 
 Surface and Volume Properties
  Accessible surface: 319.159  Positive charged surface: 270.694  Negative charged surface: 48.4651  Volume: 131.25
  Hydrophobic surface: 247.799  Hydrophilic surface: 71.36
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03099020
PUBCHEM-ZINC04202762