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PUBCHEM-ZINC06249968

 MMsINC code: MMs03638271
Type: Neutral
Formula: C23H24N2O2
SMILES:   O(C)c1cc(ccc1)-c1nc2c(cccc2)c(c1)C(=O)N1CCCCC1C
InChI:   InChI=1/C23H24N2O2/c1-16-8-5-6-13-25(16)23(26)20-15-22(17-9-7-10-18(14-17)27-2)24-21-12-4-3-11-19(20)21/h3-4,7,9-12,14-16H,5-6,8,13H2,1-2H3/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=125.254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.457 g/mol  logS: -5.54048  SlogP: 4.925  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0781441  Sterimol/B1: 2.39711  Sterimol/B2: 4.44317  Sterimol/B3: 5.82915
  Sterimol/B4: 7.98278  Sterimol/L: 16.8802 
 
 Surface and Volume Properties
  Accessible surface: 626.464  Positive charged surface: 416.141  Negative charged surface: 199.776  Volume: 362.875
  Hydrophobic surface: 564.669  Hydrophilic surface: 61.795
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.