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ASINEX-ZINC00273203

 MMsINC code: MMs00105170
Type: Neutral
Formula: C20H24N2O3
SMILES:   O(C)c1ccc(cc1)C(=O)N1CCN(CC1)Cc1ccc(OC)cc1
InChI:   InChI=1/C20H24N2O3/c1-24-18-7-3-16(4-8-18)15-21-11-13-22(14-12-21)20(23)17-5-9-19(25-2)10-6-17/h3-10H,11-15H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.423 g/mol  logS: -3.34041  SlogP: 2.9282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.064131  Sterimol/B1: 2.29696  Sterimol/B2: 3.23661  Sterimol/B3: 3.5748
  Sterimol/B4: 9.27587  Sterimol/L: 15.2448 
 
 Surface and Volume Properties
  Accessible surface: 618.425  Positive charged surface: 463.558  Negative charged surface: 154.867  Volume: 340
  Hydrophobic surface: 557.051  Hydrophilic surface: 61.374
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00105171
ASINEX-ZINC00273203