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NCID-ZINC01667779

 MMsINC code: MMs02303899
Type: Neutral
Formula: C5H10ClNO2
SMILES:   ClCCN(CC(O)=O)C
InChI:   InChI=1/C5H10ClNO2/c1-7(3-2-6)4-5(8)9/h2-4H2,1H3,(H,8,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.6985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 151.593 g/mol  logS: -0.24955  SlogP: 0.2416  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.115624  Sterimol/B1: 2.03472  Sterimol/B2: 2.57228  Sterimol/B3: 3.42718
  Sterimol/B4: 4.63117  Sterimol/L: 11.6849 
 
 Surface and Volume Properties
  Accessible surface: 326.307  Positive charged surface: 207.467  Negative charged surface: 118.841  Volume: 137
  Hydrophobic surface: 159.539  Hydrophilic surface: 166.768
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: no related molecules available.