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AURORAFEINCHEMIE-ZINC01873480

 MMsINC code: MMs00449183
Type: Neutral
Formula: C19H23N2O6P
SMILES:   P(O)(O)(=O)C(NC(=O)C(NC(OCc1ccccc1)=O)C)Cc1ccccc1
InChI:   InChI=1/C19H23N2O6P/c1-14(20-19(23)27-13-16-10-6-3-7-11-16)18(22)21-17(28(24,25)26)12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3,(H,20,23)(H,21,22)(H2,24,25,26)/t14-,17+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.686 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.375 g/mol  logS: -3.14819  SlogP: 1.36017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0471456  Sterimol/B1: 1.969  Sterimol/B2: 3.24539  Sterimol/B3: 4.50686
  Sterimol/B4: 8.26588  Sterimol/L: 20.5838 
 
 Surface and Volume Properties
  Accessible surface: 688.91  Positive charged surface: 405.726  Negative charged surface: 283.184  Volume: 371
  Hydrophobic surface: 477.29  Hydrophilic surface: 211.62
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.