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ENAMINE-ZINC03448910

 MMsINC code: MMs01449175
Type: Neutral
Formula: C24H26N2O2
SMILES:   o1cccc1C(N1CCCC1)CNC(=O)C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H26N2O2/c27-24(23(19-10-3-1-4-11-19)20-12-5-2-6-13-20)25-18-21(22-14-9-17-28-22)26-15-7-8-16-26/h1-6,9-14,17,21,23H,7-8,15-16,18H2,(H,25,27)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.885 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.484 g/mol  logS: -5.20468  SlogP: 4.4603  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109817  Sterimol/B1: 2.50133  Sterimol/B2: 3.41106  Sterimol/B3: 4.39387
  Sterimol/B4: 8.71567  Sterimol/L: 16.1585 
 
 Surface and Volume Properties
  Accessible surface: 638.292  Positive charged surface: 403.163  Negative charged surface: 235.129  Volume: 382
  Hydrophobic surface: 600.564  Hydrophilic surface: 37.728
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs01449176
ENAMINE-ZINC03448910