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NCID-ZINC01694544

 MMsINC code: MMs02325724
Type: Neutral
Formula: C15H25NO
SMILES:   Oc1ccccc1CN(CCCC)CCCC
InChI:   InChI=1/C15H25NO/c1-3-5-11-16(12-6-4-2)13-14-9-7-8-10-15(14)17/h7-10,17H,3-6,11-13H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.5026 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.371 g/mol  logS: -2.98278  SlogP: 4.0608  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158045  Sterimol/B1: 2.33725  Sterimol/B2: 2.77427  Sterimol/B3: 4.58409
  Sterimol/B4: 9.72846  Sterimol/L: 13.676 
 
 Surface and Volume Properties
  Accessible surface: 524.262  Positive charged surface: 382.043  Negative charged surface: 142.219  Volume: 267.75
  Hydrophobic surface: 440.02  Hydrophilic surface: 84.242
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02325725
NCID-ZINC01694544