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PUBCHEM-ZINC06506098

 MMsINC code: MMs03775183
Type: Neutral
Formula: C19H19ClN2O5
SMILES:   Clc1ccc(cc1)CNC(=O)C(NC(=O)Cc1cc2OCOc2cc1)CO
InChI:   InChI=1/C19H19ClN2O5/c20-14-4-1-12(2-5-14)9-21-19(25)15(10-23)22-18(24)8-13-3-6-16-17(7-13)27-11-26-16/h1-7,15,23H,8-11H2,(H,21,25)(H,22,24)/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.1628 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.823 g/mol  logS: -4.0198  SlogP: 1.67107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0530435  Sterimol/B1: 3.89294  Sterimol/B2: 4.03398  Sterimol/B3: 4.5581
  Sterimol/B4: 5.207  Sterimol/L: 21.4123 
 
 Surface and Volume Properties
  Accessible surface: 664.311  Positive charged surface: 401.297  Negative charged surface: 263.014  Volume: 346.625
  Hydrophobic surface: 489.759  Hydrophilic surface: 174.552
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.