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NCID-ZINC01688830

 MMsINC code: MMs02321451
Type: Neutral
Formula: C20H19NO2
SMILES:   O(C(=O)c1ccccc1)c1ccc2c(cccc2)c1CN(C)C
InChI:   InChI=1/C20H19NO2/c1-21(2)14-18-17-11-7-6-8-15(17)12-13-19(18)23-20(22)16-9-4-3-5-10-16/h3-13H,14H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.917 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.377 g/mol  logS: -5.24827  SlogP: 4.387  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0817251  Sterimol/B1: 2.13529  Sterimol/B2: 3.35213  Sterimol/B3: 3.9424
  Sterimol/B4: 7.9721  Sterimol/L: 16.2469 
 
 Surface and Volume Properties
  Accessible surface: 534.571  Positive charged surface: 342.141  Negative charged surface: 184.957  Volume: 308.625
  Hydrophobic surface: 506.584  Hydrophilic surface: 27.987
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs02321452
NCID-ZINC01688830