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PUBCHEM-ZINC00330441

 MMsINC code: MMs02656485
Type: Neutral
Formula: C7H9ClN2O2
SMILES:   ClC=1N(CC)C(=O)N(C)C(=O)C=1
InChI:   InChI=1/C7H9ClN2O2/c1-3-10-5(8)4-6(11)9(2)7(10)12/h4H,3H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-15.714 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.614 g/mol  logS: -1.64832  SlogP: 1.0894  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0920199  Sterimol/B1: 2.09251  Sterimol/B2: 2.89959  Sterimol/B3: 3.41158
  Sterimol/B4: 5.33883  Sterimol/L: 10.3246 
 
 Surface and Volume Properties
  Accessible surface: 348.426  Positive charged surface: 204.632  Negative charged surface: 143.793  Volume: 161.5
  Hydrophobic surface: 249.09  Hydrophilic surface: 99.336
 
 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.