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NCID-ZINC04760975

 MMsINC code: MMs02401492
Type: Neutral
Formula: C6H11NO3
SMILES:   OC(=O)C(NC(=O)C)CC
InChI:   InChI=1/C6H11NO3/c1-3-5(6(9)10)7-4(2)8/h5H,3H2,1-2H3,(H,7,8)(H,9,10)/t5-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.8198 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 145.158 g/mol  logS: -0.29529  SlogP: -0.0143  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120898  Sterimol/B1: 2.39325  Sterimol/B2: 2.91554  Sterimol/B3: 3.09546
  Sterimol/B4: 6.24186  Sterimol/L: 10.3086 
 
 Surface and Volume Properties
  Accessible surface: 328.914  Positive charged surface: 215.573  Negative charged surface: 113.341  Volume: 138.625
  Hydrophobic surface: 178.941  Hydrophilic surface: 149.973
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02401493
NCID-ZINC04760975