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ACROSORGANICS-ZINC03861505

 MMsINC code: MMs00015971
Type: Neutral
Formula: C17H19N2O+
SMILES:   O1C2=CC(=[N+](C)C)C=CC2=Cc2c1cc(N(C)C)cc2
InChI:   InChI=1/C17H19N2O/c1-18(2)14-7-5-12-9-13-6-8-15(19(3)4)11-17(13)20-16(12)10-14/h5-11H,1-4H3/q+1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.9335 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.352 g/mol  logS: -3.84246  SlogP: 2.6952  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00945873  Sterimol/B1: 2.38264  Sterimol/B2: 2.54266  Sterimol/B3: 4.16612
  Sterimol/B4: 4.69375  Sterimol/L: 16.6489 
 
 Surface and Volume Properties
  Accessible surface: 521.264  Positive charged surface: 405.328  Negative charged surface: 110.401  Volume: 276.25
  Hydrophobic surface: 513.827  Hydrophilic surface: 7.437
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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: no related molecules available.