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NCID-ZINC01688946

 MMsINC code: MMs02321538
Type: Neutral
Formula: C6H8ClNO2
SMILES:   ClCCN1C(=O)CCC1=O
InChI:   InChI=1/C6H8ClNO2/c7-3-4-8-5(9)1-2-6(8)10/h1-4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-9.36972 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 161.588 g/mol  logS: -0.72239  SlogP: 0.3742  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.142715  Sterimol/B1: 2.55548  Sterimol/B2: 2.87264  Sterimol/B3: 3.22607
  Sterimol/B4: 4.76841  Sterimol/L: 10.3459 
 
 Surface and Volume Properties
  Accessible surface: 327.426  Positive charged surface: 174.205  Negative charged surface: 153.221  Volume: 136.125
  Hydrophobic surface: 173.878  Hydrophilic surface: 153.548
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.