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NCID-ZINC01713604

 MMsINC code: MMs02340048
Type: Neutral
Formula: C19H25NO
SMILES:   OC(Cc1cc(cc(C)c1CN(C)C)C)c1ccccc1
InChI:   InChI=1/C19H25NO/c1-14-10-15(2)18(13-20(3)4)17(11-14)12-19(21)16-8-6-5-7-9-16/h5-11,19,21H,12-13H2,1-4H3/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.3752 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.415 g/mol  logS: -3.80456  SlogP: 4.00301  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0845435  Sterimol/B1: 2.28918  Sterimol/B2: 3.19608  Sterimol/B3: 4.09621
  Sterimol/B4: 9.07652  Sterimol/L: 14.315 
 
 Surface and Volume Properties
  Accessible surface: 536.224  Positive charged surface: 366.191  Negative charged surface: 170.033  Volume: 310.625
  Hydrophobic surface: 499.255  Hydrophilic surface: 36.969
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02340049
NCID-ZINC01713604