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PUBCHEM-ZINC01999156

 MMsINC code: MMs02841634
Type: Neutral
Formula: C18H20N2
SMILES:   [nH]1cc(c2c1cccc2)CCNC(C)c1ccccc1
InChI:   InChI=1/C18H20N2/c1-14(15-7-3-2-4-8-15)19-12-11-16-13-20-18-10-6-5-9-17(16)18/h2-10,13-14,19-20H,11-12H2,1H3/t14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.5645 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.372 g/mol  logS: -3.57186  SlogP: 4.15667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0665091  Sterimol/B1: 2.54106  Sterimol/B2: 2.89252  Sterimol/B3: 4.70947
  Sterimol/B4: 6.59655  Sterimol/L: 16.9308 
 
 Surface and Volume Properties
  Accessible surface: 544.953  Positive charged surface: 327.369  Negative charged surface: 213.234  Volume: 286.125
  Hydrophobic surface: 469.005  Hydrophilic surface: 75.948
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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


MMs02841635
PUBCHEM-ZINC01999156