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PUBCHEM-ZINC05465001

 MMsINC code: MMs03277373
Type: Neutral
Formula: C10H20ClNO
SMILES:   ClCCC(=O)NC(CCCCC)C
InChI:   InChI=1/C10H20ClNO/c1-3-4-5-6-9(2)12-10(13)7-8-11/h9H,3-8H2,1-2H3,(H,12,13)/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-1.7665 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.729 g/mol  logS: -2.81216  SlogP: 2.7003  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0627344  Sterimol/B1: 2.85912  Sterimol/B2: 3.10305  Sterimol/B3: 3.90976
  Sterimol/B4: 6.22878  Sterimol/L: 14.4493 
 
 Surface and Volume Properties
  Accessible surface: 469.192  Positive charged surface: 316.141  Negative charged surface: 153.052  Volume: 217.125
  Hydrophobic surface: 316.599  Hydrophilic surface: 152.593
 
 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.