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ENAMINE-ZINC04219137

 MMsINC code: MMs01536244
Type: Neutral
Formula: C10H20ClNO
SMILES:   ClCC(=O)NC(CCCCCC)C
InChI:   InChI=1/C10H20ClNO/c1-3-4-5-6-7-9(2)12-10(13)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)=13.8783 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.729 g/mol  logS: -3.44546  SlogP: 2.7003  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0578492  Sterimol/B1: 2.97408  Sterimol/B2: 3.0282  Sterimol/B3: 4.34148
  Sterimol/B4: 5.41982  Sterimol/L: 14.6737 
 
 Surface and Volume Properties
  Accessible surface: 467.459  Positive charged surface: 315.379  Negative charged surface: 152.079  Volume: 219.625
  Hydrophobic surface: 316.29  Hydrophilic surface: 151.169
 
 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.