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PUBCHEM-ZINC03652501

 MMsINC code: MMs03034506
Type: Neutral
Formula: C19H25N
SMILES:   N(C(Cc1ccccc1)C)(C(Cc1ccccc1)C)C
InChI:   InChI=1/C19H25N/c1-16(14-18-10-6-4-7-11-18)20(3)17(2)15-19-12-8-5-9-13-19/h4-13,16-17H,14-15H2,1-3H3/t16-,17+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=157.056 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.416 g/mol  logS: -3.80159  SlogP: 4.18054  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.243383  Sterimol/B1: 1.969  Sterimol/B2: 3.23151  Sterimol/B3: 4.43627
  Sterimol/B4: 8.71314  Sterimol/L: 12.9145 
 
 Surface and Volume Properties
  Accessible surface: 491.925  Positive charged surface: 319.51  Negative charged surface: 172.414  Volume: 295.875
  Hydrophobic surface: 459.084  Hydrophilic surface: 32.841
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03034507
PUBCHEM-ZINC03652501