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CHEMBLOCK-ZINC00269526

 MMsINC code: MMs00503874
Type: Neutral
Formula: C11H14Cl2N2O
SMILES:   Clc1c(C)c(C(=O)NC(C)C)c(Cl)nc1C
InChI:   InChI=1/C11H14Cl2N2O/c1-5(2)14-11(16)8-6(3)9(12)7(4)15-10(8)13/h5H,1-4H3,(H,14,16)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.0962 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.152 g/mol  logS: -3.18099  SlogP: 3.14344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.072891  Sterimol/B1: 2.14468  Sterimol/B2: 3.16021  Sterimol/B3: 3.95195
  Sterimol/B4: 7.24274  Sterimol/L: 13.1836 
 
 Surface and Volume Properties
  Accessible surface: 457.268  Positive charged surface: 234.001  Negative charged surface: 223.267  Volume: 235.625
  Hydrophobic surface: 365.562  Hydrophilic surface: 91.706
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.