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PUBCHEM-ZINC05842173

 MMsINC code: MMs03411371
Type: Neutral
Formula: C5H10ClN
SMILES:   ClC1NCCCC1
InChI:   InChI=1/C5H10ClN/c6-5-3-1-2-4-7-5/h5,7H,1-4H2/t5-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-4.81216 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 119.595 g/mol  logS: -0.75764  SlogP: 1.7447  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.333109  Sterimol/B1: 2.46656  Sterimol/B2: 2.68871  Sterimol/B3: 3.07932
  Sterimol/B4: 4.80042  Sterimol/L: 8.85356 
 
 Surface and Volume Properties
  Accessible surface: 283.577  Positive charged surface: 184.409  Negative charged surface: 99.1676  Volume: 117.5
  Hydrophobic surface: 189.215  Hydrophilic surface: 94.362
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: no related molecules available.