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IFLAB-ZINC05256272

 MMsINC code: MMs02085938
Type: Neutral
Formula: C23H25N3O4
SMILES:   O(C)c1cc(ccc1OC)C1N(CCn2c1ccc2)C(=O)Nc1cc(OC)ccc1
InChI:   InChI=1/C23H25N3O4/c1-28-18-7-4-6-17(15-18)24-23(27)26-13-12-25-11-5-8-19(25)22(26)16-9-10-20(29-2)21(14-16)30-3/h4-11,14-15,22H,12-13H2,1-3H3,(H,24,27)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.691 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.47 g/mol  logS: -3.64813  SlogP: 4.5129  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123614  Sterimol/B1: 4.06052  Sterimol/B2: 4.93165  Sterimol/B3: 6.06541
  Sterimol/B4: 7.17976  Sterimol/L: 18.2856 
 
 Surface and Volume Properties
  Accessible surface: 694.098  Positive charged surface: 508.622  Negative charged surface: 185.476  Volume: 393.25
  Hydrophobic surface: 614.999  Hydrophilic surface: 79.099
 
 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.