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PUBCHEM-ZINC06486901

 MMsINC code: MMs03761717
Type: Neutral
Formula: C23H30N2O2
SMILES:   OC(CN(C(=O)Nc1cc(ccc1C)C)C1CCCCC1)c1ccccc1
InChI:   InChI=1/C23H30N2O2/c1-17-13-14-18(2)21(15-17)24-23(27)25(20-11-7-4-8-12-20)16-22(26)19-9-5-3-6-10-19/h3,5-6,9-10,13-15,20,22,26H,4,7-8,11-12,16H2,1-2H3,(H,24,27)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.9654 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.505 g/mol  logS: -4.99309  SlogP: 5.29914  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.076098  Sterimol/B1: 3.58905  Sterimol/B2: 3.98196  Sterimol/B3: 5.14836
  Sterimol/B4: 8.78798  Sterimol/L: 16.2625 
 
 Surface and Volume Properties
  Accessible surface: 636.906  Positive charged surface: 412.494  Negative charged surface: 224.412  Volume: 382
  Hydrophobic surface: 610.05  Hydrophilic surface: 26.856
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.