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PUBCHEM-ZINC05426238

 MMsINC code: MMs03266926
Type: Neutral
Formula: C6H10ClNO
SMILES:   ClCC(=O)C1NCCC1
InChI:   InChI=1/C6H10ClNO/c7-4-6(9)5-2-1-3-8-5/h5,8H,1-4H2/t5-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.0164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 147.605 g/mol  logS: -1.00649  SlogP: 0.5463  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.160718  Sterimol/B1: 2.26383  Sterimol/B2: 2.75744  Sterimol/B3: 3.34058
  Sterimol/B4: 4.33011  Sterimol/L: 10.478 
 
 Surface and Volume Properties
  Accessible surface: 325.54  Positive charged surface: 207.128  Negative charged surface: 118.412  Volume: 137.5
  Hydrophobic surface: 194.687  Hydrophilic surface: 130.853
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs03266927
PUBCHEM-ZINC05426238