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PUBCHEM-ZINC01999765

 MMsINC code: MMs02842128
Type: Neutral
Formula: C19H25NO
SMILES:   O(C(c1ccccc1C)c1ccc(cc1)C)CCN(C)C
InChI:   InChI=1/C19H25NO/c1-15-9-11-17(12-10-15)19(21-14-13-20(3)4)18-8-6-5-7-16(18)2/h5-12,19H,13-14H2,1-4H3/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.5092 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.415 g/mol  logS: -4.11471  SlogP: 4.06654  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.230164  Sterimol/B1: 2.39556  Sterimol/B2: 3.85665  Sterimol/B3: 4.57855
  Sterimol/B4: 10.4289  Sterimol/L: 13.108 
 
 Surface and Volume Properties
  Accessible surface: 576.964  Positive charged surface: 413.736  Negative charged surface: 163.227  Volume: 315.5
  Hydrophobic surface: 576.037  Hydrophilic surface: 0.92700000000002
 
 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


MMs02842129
PUBCHEM-ZINC01999765