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NCID-ZINC01672986

 MMsINC code: MMs02308993
Type: Neutral
Formula: C8H16ClNO
SMILES:   ClCC(=O)NCCCCCC
InChI:   InChI=1/C8H16ClNO/c1-2-3-4-5-6-10-8(11)7-9/h2-7H2,1H3,(H,10,11)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.029 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 177.675 g/mol  logS: -2.60303  SlogP: 1.9217  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0335757  Sterimol/B1: 2.21838  Sterimol/B2: 2.375  Sterimol/B3: 2.37576
  Sterimol/B4: 3.70116  Sterimol/L: 15.7835 
 
 Surface and Volume Properties
  Accessible surface: 417.632  Positive charged surface: 284.302  Negative charged surface: 133.329  Volume: 184.75
  Hydrophobic surface: 272.881  Hydrophilic surface: 144.751
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.