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ACROSORGANICS-ZINC06661817

 MMsINC code: MMs00019031
Type: Neutral
Formula: C6H10ClNO
SMILES:   ClCN1C(CCC1=O)C
InChI:   InChI=1/C6H10ClNO/c1-5-2-3-6(9)8(5)4-7/h5H,2-4H2,1H3/t5-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.42894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 147.605 g/mol  logS: -0.68764  SlogP: 1.1936  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.218568  Sterimol/B1: 2.48465  Sterimol/B2: 3.24465  Sterimol/B3: 3.28556
  Sterimol/B4: 6.12214  Sterimol/L: 8.61461 
 
 Surface and Volume Properties
  Accessible surface: 313.662  Positive charged surface: 187.574  Negative charged surface: 126.089  Volume: 138.75
  Hydrophobic surface: 183.121  Hydrophilic surface: 130.541
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.