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FDA-ZINC00057261

 MMsINC code: MMs01725073
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-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.9122 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: 0.101243  Sterimol/B1: 2.60548  Sterimol/B2: 3.30431  Sterimol/B3: 4.66656
  Sterimol/B4: 6.0624  Sterimol/L: 14.2046 
 
 Surface and Volume Properties
  Accessible surface: 496.651  Positive charged surface: 260.14  Negative charged surface: 236.511  Volume: 256.25
  Hydrophobic surface: 346.883  Hydrophilic surface: 149.768
 
 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


MMs01725074
FDA-ZINC00057261