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FDA-ZINC00057262

 MMsINC code: MMs01725075
Type: Neutral
Formula: C12H18Cl2N2O
SMILES:   Clc1cc(cc(Cl)c1N)C(O)CNC(C)(C)C
InChI:   InChI=1/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3/t10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.398 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.195 g/mol  logS: -3.09393  SlogP: 3.0926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103602  Sterimol/B1: 2.5492  Sterimol/B2: 3.37985  Sterimol/B3: 4.95297
  Sterimol/B4: 6.08759  Sterimol/L: 14.197 
 
 Surface and Volume Properties
  Accessible surface: 496.501  Positive charged surface: 257.982  Negative charged surface: 238.518  Volume: 255.125
  Hydrophobic surface: 343.7  Hydrophilic surface: 152.801
 
 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


MMs01725076
FDA-ZINC00057262