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PUBCHEM-ZINC02017304

 MMsINC code: MMs02853123
Type: Neutral
Formula: C19H25NO
SMILES:   O(C(c1ccc(cc1)C)c1ccc(cc1)C)CCN(C)C
InChI:   InChI=1/C19H25NO/c1-15-5-9-17(10-6-15)19(21-14-13-20(3)4)18-11-7-16(2)8-12-18/h5-12,19H,13-14H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.8286 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: 0.180253  Sterimol/B1: 2.25017  Sterimol/B2: 2.82414  Sterimol/B3: 4.77429
  Sterimol/B4: 10.3188  Sterimol/L: 14.1575 
 
 Surface and Volume Properties
  Accessible surface: 581.846  Positive charged surface: 425.98  Negative charged surface: 155.866  Volume: 314.375
  Hydrophobic surface: 581.595  Hydrophilic surface: 0.25099999999998
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  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


MMs02853124
PUBCHEM-ZINC02017304