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NCID-ZINC01698378

 MMsINC code: MMs02328704
Type: Neutral
Formula: C5H10ClNO2
SMILES:   ClCCOC(=O)NCC
InChI:   InChI=1/C5H10ClNO2/c1-2-7-5(8)9-4-3-6/h2-4H2,1H3,(H,7,8)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-12.6394 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 151.593 g/mol  logS: -0.93242  SlogP: 0.9713  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0484258  Sterimol/B1: 2.52029  Sterimol/B2: 3.16798  Sterimol/B3: 3.33075
  Sterimol/B4: 3.82514  Sterimol/L: 12.0202 
 
 Surface and Volume Properties
  Accessible surface: 349.73  Positive charged surface: 228.422  Negative charged surface: 121.308  Volume: 138.25
  Hydrophobic surface: 193.9  Hydrophilic surface: 155.83
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.