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NCID-ZINC01713055

 MMsINC code: MMs02339655
Type: Neutral
Formula: C10H19ClN2O
SMILES:   ClCCNC(=O)N(C)C1CCCCC1
InChI:   InChI=1/C10H19ClN2O/c1-13(10(14)12-8-7-11)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,12,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.0924461 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.728 g/mol  logS: -1.73476  SlogP: 2.1993  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.108919  Sterimol/B1: 1.969  Sterimol/B2: 3.6242  Sterimol/B3: 3.62455
  Sterimol/B4: 5.20254  Sterimol/L: 15.007 
 
 Surface and Volume Properties
  Accessible surface: 448.645  Positive charged surface: 315.891  Negative charged surface: 132.754  Volume: 218.875
  Hydrophobic surface: 339.225  Hydrophilic surface: 109.42
 
 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.