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PUBCHEM-ZINC05420900

 MMsINC code: MMs03264055
Type: Neutral
Formula: C11H14Cl2N2O3
SMILES:   ClC(Cl)C(=O)NC(C(O)c1ccc(N)cc1)CO
InChI:   InChI=1/C11H14Cl2N2O3/c12-10(13)11(18)15-8(5-16)9(17)6-1-3-7(14)4-2-6/h1-4,8-10,16-17H,5,14H2,(H,15,18)/t8-,9-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.6791 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.15 g/mol  logS: -2.2581  SlogP: 1.0984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155633  Sterimol/B1: 2.58874  Sterimol/B2: 3.08361  Sterimol/B3: 4.11563
  Sterimol/B4: 7.64756  Sterimol/L: 12.0472 
 
 Surface and Volume Properties
  Accessible surface: 478.498  Positive charged surface: 246.067  Negative charged surface: 232.431  Volume: 248.5
  Hydrophobic surface: 196.822  Hydrophilic surface: 281.676
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.