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PUBCHEM-ZINC02763484

 MMsINC code: MMs02919298
Type: Neutral
Formula: C20H23NO2
SMILES:   O(C(C(=O)NC1CCCc2c1cccc2)C)c1ccc(cc1)C
InChI:   InChI=1/C20H23NO2/c1-14-10-12-17(13-11-14)23-15(2)20(22)21-19-9-5-7-16-6-3-4-8-18(16)19/h3-4,6,8,10-13,15,19H,5,7,9H2,1-2H3,(H,21,22)/t15-,19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.4659 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.409 g/mol  logS: -5.07772  SlogP: 4.05159  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0498656  Sterimol/B1: 3.57502  Sterimol/B2: 3.5925  Sterimol/B3: 4.11204
  Sterimol/B4: 5.56453  Sterimol/L: 17.5032 
 
 Surface and Volume Properties
  Accessible surface: 579.434  Positive charged surface: 365.337  Negative charged surface: 214.097  Volume: 319.125
  Hydrophobic surface: 521.213  Hydrophilic surface: 58.221
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.