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NCID-ZINC05341206

 MMsINC code: MMs02453544
Type: Neutral
Formula: C24H29NO5
SMILES:   O1C2C(OC(OC2)(C)C)C(C)C(NC(=O)c2ccccc2)C1OCc1ccccc1
InChI:   InChI=1/C24H29NO5/c1-16-20(25-22(26)18-12-8-5-9-13-18)23(27-14-17-10-6-4-7-11-17)29-19-15-28-24(2,3)30-21(16)19/h4-13,16,19-21,23H,14-15H2,1-3H3,(H,25,26)/t16-,19-,20-,21+,23+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.057 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.498 g/mol  logS: -5.1618  SlogP: 3.7807  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135041  Sterimol/B1: 2.34684  Sterimol/B2: 2.61492  Sterimol/B3: 5.21577
  Sterimol/B4: 10.461  Sterimol/L: 16.9907 
 
 Surface and Volume Properties
  Accessible surface: 694.764  Positive charged surface: 432.641  Negative charged surface: 262.123  Volume: 404.375
  Hydrophobic surface: 583.856  Hydrophilic surface: 110.908
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.