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ENAMINE-ZINC05797803

 MMsINC code: MMs01640163
Type: Neutral
Formula: C23H27N3O4
SMILES:   O(C)c1ccc(cc1)C1(NC(=O)N(CC(=O)N(Cc2ccccc2)CC)C1=O)CC
InChI:   InChI=1/C23H27N3O4/c1-4-23(18-11-13-19(30-3)14-12-18)21(28)26(22(29)24-23)16-20(27)25(5-2)15-17-9-7-6-8-10-17/h6-14H,4-5,15-16H2,1-3H3,(H,24,29)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.2752 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.486 g/mol  logS: -4.54344  SlogP: 3.4789  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0730817  Sterimol/B1: 2.27184  Sterimol/B2: 2.28212  Sterimol/B3: 5.79178
  Sterimol/B4: 8.62135  Sterimol/L: 20.0459 
 
 Surface and Volume Properties
  Accessible surface: 683.827  Positive charged surface: 437.832  Negative charged surface: 245.994  Volume: 400.625
  Hydrophobic surface: 536.63  Hydrophilic surface: 147.197
 
 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.