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ENAMINE-ZINC06545799

 MMsINC code: MMs01670203
Type: Neutral
Formula: C23H24N2O3
SMILES:   O=C1N(CC(=O)c2ccc(cc2)C(C)C)C(=O)NC12CCCc1c2cccc1
InChI:   InChI=1/C23H24N2O3/c1-15(2)16-9-11-18(12-10-16)20(26)14-25-21(27)23(24-22(25)28)13-5-7-17-6-3-4-8-19(17)23/h3-4,6,8-12,15H,5,7,13-14H2,1-2H3,(H,24,28)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.4917 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.456 g/mol  logS: -6.30686  SlogP: 4.08777  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0407563  Sterimol/B1: 3.60243  Sterimol/B2: 4.86061  Sterimol/B3: 4.99357
  Sterimol/B4: 5.07508  Sterimol/L: 19.051 
 
 Surface and Volume Properties
  Accessible surface: 639.24  Positive charged surface: 382.125  Negative charged surface: 257.115  Volume: 367.875
  Hydrophobic surface: 490.895  Hydrophilic surface: 148.345
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.