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AURORAFEINCHEMIE-ZINC02296771

 MMsINC code: MMs00452493
Type: Neutral
Formula: C22H24N2O3
SMILES:   O=C1N(CCCCCC(=O)NC(C)c2ccccc2)C(=O)c2c1cccc2
InChI:   InChI=1/C22H24N2O3/c1-16(17-10-4-2-5-11-17)23-20(25)14-6-3-9-15-24-21(26)18-12-7-8-13-19(18)22(24)27/h2,4-5,7-8,10-13,16H,3,6,9,14-15H2,1H3,(H,23,25)/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.9874 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.445 g/mol  logS: -4.68964  SlogP: 3.8159  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.041209  Sterimol/B1: 2.06205  Sterimol/B2: 3.51843  Sterimol/B3: 4.21288
  Sterimol/B4: 6.22323  Sterimol/L: 22.2169 
 
 Surface and Volume Properties
  Accessible surface: 685.821  Positive charged surface: 418.804  Negative charged surface: 267.018  Volume: 365.125
  Hydrophobic surface: 553.462  Hydrophilic surface: 132.359
 
 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.