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PUBCHEM-ZINC06522473

 MMsINC code: MMs03780776
Type: Neutral
Formula: C19H23NO2
SMILES:   O(C(CCN(C)C)c1ccccc1)C(=O)c1ccc(cc1)C
InChI:   InChI=1/C19H23NO2/c1-15-9-11-17(12-10-15)19(21)22-18(13-14-20(2)3)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.0938 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.398 g/mol  logS: -4.10809  SlogP: 3.94032  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103137  Sterimol/B1: 3.36931  Sterimol/B2: 4.39652  Sterimol/B3: 5.35235
  Sterimol/B4: 7.98909  Sterimol/L: 15.1078 
 
 Surface and Volume Properties
  Accessible surface: 600.051  Positive charged surface: 405.214  Negative charged surface: 194.837  Volume: 318.625
  Hydrophobic surface: 571.801  Hydrophilic surface: 28.25
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs03780777
PUBCHEM-ZINC06522473