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PUBCHEM-ZINC05308774

 MMsINC code: MMs03236449
Type: Neutral
Formula: C19H25N
SMILES:   N(Cc1ccccc1)(Cc1ccccc1)CCCCC
InChI:   InChI=1/C19H25N/c1-2-3-10-15-20(16-18-11-6-4-7-12-18)17-19-13-8-5-9-14-19/h4-9,11-14H,2-3,10,15-17H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.4041 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.416 g/mol  logS: -4.58365  SlogP: 5.4118  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145251  Sterimol/B1: 3.02945  Sterimol/B2: 3.5257  Sterimol/B3: 4.01413
  Sterimol/B4: 8.59499  Sterimol/L: 14.7988 
 
 Surface and Volume Properties
  Accessible surface: 566.293  Positive charged surface: 376.647  Negative charged surface: 189.646  Volume: 307
  Hydrophobic surface: 533.068  Hydrophilic surface: 33.225
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03236450
PUBCHEM-ZINC05308774