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PUBCHEM-ZINC06762903

 MMsINC code: MMs03856327
Type: Neutral
Formula: C17H23ClN2O4
SMILES:   Clc1cccc(NC(=O)C(NC(OC(C)(C)C)=O)C(C)C)c1C=O
InChI:   InChI=1/C17H23ClN2O4/c1-10(2)14(20-16(23)24-17(3,4)5)15(22)19-13-8-6-7-12(18)11(13)9-21/h6-10,14H,1-5H3,(H,19,22)(H,20,23)/t14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.0145 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.834 g/mol  logS: -4.28914  SlogP: 3.6403  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.112707  Sterimol/B1: 1.97176  Sterimol/B2: 3.18384  Sterimol/B3: 6.20382
  Sterimol/B4: 6.68559  Sterimol/L: 17.3317 
 
 Surface and Volume Properties
  Accessible surface: 595.938  Positive charged surface: 356.828  Negative charged surface: 239.11  Volume: 332.375
  Hydrophobic surface: 405.586  Hydrophilic surface: 190.352
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: no related molecules available.