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IFLAB-ZINC00138451

 MMsINC code: MMs01974956
Type: Neutral
Formula: C11H14ClNO2
SMILES:   Clc1ccc(cc1)C(ONC(C)(C)C)=O
InChI:   InChI=1/C11H14ClNO2/c1-11(2,3)13-15-10(14)8-4-6-9(12)7-5-8/h4-7,13H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.2943 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.691 g/mol  logS: -3.17982  SlogP: 2.7999  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0686088  Sterimol/B1: 2.34688  Sterimol/B2: 3.152  Sterimol/B3: 4.89835
  Sterimol/B4: 4.92771  Sterimol/L: 14.4801 
 
 Surface and Volume Properties
  Accessible surface: 449.478  Positive charged surface: 226.291  Negative charged surface: 223.187  Volume: 217.125
  Hydrophobic surface: 339.628  Hydrophilic surface: 109.85
 
 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.