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PUBCHEM-ZINC04762254

 MMsINC code: MMs03167659
Type: Neutral
Formula: C18H26N2O5
SMILES:   O(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(C(OC)=O)C
InChI:   InChI=1/C18H26N2O5/c1-12(2)10-15(16(21)19-13(3)17(22)24-4)20-18(23)25-11-14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3,(H,19,21)(H,20,23)/t13-,15+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.287 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.415 g/mol  logS: -4.0752  SlogP: 2.2716  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0610323  Sterimol/B1: 2.10644  Sterimol/B2: 3.54489  Sterimol/B3: 4.04653
  Sterimol/B4: 8.59415  Sterimol/L: 19.6765 
 
 Surface and Volume Properties
  Accessible surface: 647.691  Positive charged surface: 435.644  Negative charged surface: 212.047  Volume: 342.5
  Hydrophobic surface: 482.898  Hydrophilic surface: 164.793
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.