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ENAMINE-ZINC03316832

 MMsINC code: MMs01367465
Type: Neutral
Formula: C8H14ClNO
SMILES:   ClC(C(=O)N1CCCCC1)C
InChI:   InChI=1/C8H14ClNO/c1-7(9)8(11)10-5-3-2-4-6-10/h7H,2-6H2,1H3/t7-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.9996 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 175.659 g/mol  logS: -1.50376  SlogP: 2.0461  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128433  Sterimol/B1: 2.9171  Sterimol/B2: 3.77336  Sterimol/B3: 3.97019
  Sterimol/B4: 4.397  Sterimol/L: 10.9146 
 
 Surface and Volume Properties
  Accessible surface: 362.938  Positive charged surface: 236.054  Negative charged surface: 126.885  Volume: 169.125
  Hydrophobic surface: 256.204  Hydrophilic surface: 106.734
 
 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.