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PUBCHEM-ZINC05566898

 MMsINC code: MMs03308813
Type: Neutral
Formula: C6H10ClNO
SMILES:   ClC1CCCCNC1=O
InChI:   InChI=1/C6H10ClNO/c7-5-3-1-2-4-8-6(5)9/h5H,1-4H2,(H,8,9)/t5-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.91 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 147.605 g/mol  logS: -1.28254  SlogP: 1.3138  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.392226  Sterimol/B1: 2.45051  Sterimol/B2: 2.92459  Sterimol/B3: 4.15017
  Sterimol/B4: 5.61746  Sterimol/L: 7.89347 
 
 Surface and Volume Properties
  Accessible surface: 296.507  Positive charged surface: 185.443  Negative charged surface: 111.063  Volume: 131.25
  Hydrophobic surface: 176.183  Hydrophilic surface: 120.324
 
 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.