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PUBCHEM-ZINC05161419

 MMsINC code: MMs03216866
Type: Neutral
Formula: C4H8NO2-
SMILES:   O(C(=O)C)CC[NH-]
InChI:   InChI=1/C4H8NO2/c1-4(6)7-3-2-5/h5H,2-3H2,1H3/q-1

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Potential Energy
Epot(MMFF94)=14.8802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 102.113 g/mol  logS: 0.27818  SlogP: -0.1676  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0778797  Sterimol/B1: 2.69803  Sterimol/B2: 2.70126  Sterimol/B3: 2.83774
  Sterimol/B4: 3.74882  Sterimol/L: 9.53969 
 
 Surface and Volume Properties
  Accessible surface: 289.413  Positive charged surface: 190.893  Negative charged surface: 98.5206  Volume: 102.875
  Hydrophobic surface: 183.719  Hydrophilic surface: 105.694
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 1  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.