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ENAMINE-ZINC03293796

 MMsINC code: MMs01354775
Type: Neutral
Formula: C24H24N2O4
SMILES:   O1c2c(OCC1CNC(C(=O)Nc1cc(OC)ccc1)c1ccccc1)cccc2
InChI:   InChI=1/C24H24N2O4/c1-28-19-11-7-10-18(14-19)26-24(27)23(17-8-3-2-4-9-17)25-15-20-16-29-21-12-5-6-13-22(21)30-20/h2-14,20,23,25H,15-16H2,1H3,(H,26,27)/t20-,23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=140.199 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.466 g/mol  logS: -5.21613  SlogP: 3.9001  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0632391  Sterimol/B1: 2.75998  Sterimol/B2: 3.57671  Sterimol/B3: 5.22184
  Sterimol/B4: 10.1142  Sterimol/L: 19.5215 
 
 Surface and Volume Properties
  Accessible surface: 715.147  Positive charged surface: 468.156  Negative charged surface: 246.991  Volume: 390.5
  Hydrophobic surface: 656.45  Hydrophilic surface: 58.697
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.