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ALFAAESAR-ZINC00154451

 MMsINC code: MMs00019969
Type: Neutral
Formula: C6H10ClNO2
SMILES:   ClCC(=O)N1CCOCC1
InChI:   InChI=1/C6H10ClNO2/c7-5-6(9)8-1-3-10-4-2-8/h1-5H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.1247 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 163.604 g/mol  logS: -0.71388  SlogP: 0.084  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.161185  Sterimol/B1: 2.49273  Sterimol/B2: 2.65348  Sterimol/B3: 3.36935
  Sterimol/B4: 5.3024  Sterimol/L: 10.6034 
 
 Surface and Volume Properties
  Accessible surface: 328.558  Positive charged surface: 221.612  Negative charged surface: 106.947  Volume: 144.875
  Hydrophobic surface: 211.029  Hydrophilic surface: 117.529
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.