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CHEMDIV-ZINC04034865

 MMsINC code: MMs00923417
Type: Neutral
Formula: C23H32N2O4
SMILES:   O1CCOC12CCN(CC2)C(=O)C(NC(=O)C1CCCCC1)Cc1ccccc1
InChI:   InChI=1/C23H32N2O4/c26-21(19-9-5-2-6-10-19)24-20(17-18-7-3-1-4-8-18)22(27)25-13-11-23(12-14-25)28-15-16-29-23/h1,3-4,7-8,19-20H,2,5-6,9-17H2,(H,24,26)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.8736 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.519 g/mol  logS: -4.55604  SlogP: 2.65967  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0833537  Sterimol/B1: 2.43473  Sterimol/B2: 4.02731  Sterimol/B3: 4.04698
  Sterimol/B4: 8.36162  Sterimol/L: 17.9438 
 
 Surface and Volume Properties
  Accessible surface: 648.388  Positive charged surface: 488.514  Negative charged surface: 159.874  Volume: 399.25
  Hydrophobic surface: 585.507  Hydrophilic surface: 62.881
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.