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ENAMINE-ZINC04966519

 MMsINC code: MMs01570674
Type: Neutral
Formula: C23H27NO3
SMILES:   O(C(=O)c1ccccc1Cc1ccccc1)CC(=O)N1C(CCCC1C)C
InChI:   InChI=1/C23H27NO3/c1-17-9-8-10-18(2)24(17)22(25)16-27-23(26)21-14-7-6-13-20(21)15-19-11-4-3-5-12-19/h3-7,11-14,17-18H,8-10,15-16H2,1-2H3/t17-,18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=119.912 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.473 g/mol  logS: -5.35814  SlogP: 4.22367  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0431051  Sterimol/B1: 3.24405  Sterimol/B2: 3.81747  Sterimol/B3: 4.14435
  Sterimol/B4: 6.92941  Sterimol/L: 18.8943 
 
 Surface and Volume Properties
  Accessible surface: 656.973  Positive charged surface: 427.537  Negative charged surface: 229.436  Volume: 372.125
  Hydrophobic surface: 575.585  Hydrophilic surface: 81.388
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.