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PUBCHEM-ZINC03602695

 MMsINC code: MMs03019433
Type: Neutral
Formula: C11H16Cl2N2O
SMILES:   Clc1cc(cc(Cl)c1N)C(O)CNC(C)C
InChI:   InChI=1/C11H16Cl2N2O/c1-6(2)15-5-10(16)7-3-8(12)11(14)9(13)4-7/h3-4,6,10,15-16H,5,14H2,1-2H3/t10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.0156 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.168 g/mol  logS: -2.76672  SlogP: 2.7025  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0710667  Sterimol/B1: 2.71768  Sterimol/B2: 3.77891  Sterimol/B3: 4.27822
  Sterimol/B4: 5.69444  Sterimol/L: 14.0616 
 
 Surface and Volume Properties
  Accessible surface: 482.368  Positive charged surface: 255.977  Negative charged surface: 226.392  Volume: 239.25
  Hydrophobic surface: 341.143  Hydrophilic surface: 141.225
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  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


MMs03019434
PUBCHEM-ZINC03602695