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NCID-ZINC01616554

 MMsINC code: MMs02266012
Type: Neutral
Formula: C6H11NO3
SMILES:   OC(=O)C1(N)CC(C1)CO
InChI:   InChI=1/C6H11NO3/c7-6(5(9)10)1-4(2-6)3-8/h4,8H,1-3,7H2,(H,9,10)/t4-,6+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.9159 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 145.158 g/mol  logS: 0.29609  SlogP: -0.8292  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187451  Sterimol/B1: 2.32451  Sterimol/B2: 3.4523  Sterimol/B3: 3.9266
  Sterimol/B4: 4.47373  Sterimol/L: 10.432 
 
 Surface and Volume Properties
  Accessible surface: 321.056  Positive charged surface: 157.651  Negative charged surface: 73.23  Volume: 133.75
  Hydrophobic surface: 132.595  Hydrophilic surface: 188.461
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02266013
NCID-ZINC01616554