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PUBCHEM-ZINC01842985

 MMsINC code: MMs02822369
Type: Neutral
Formula: C15H25N
SMILES:   N(C(Cc1ccc(cc1)CCCCC)C)C
InChI:   InChI=1/C15H25N/c1-4-5-6-7-14-8-10-15(11-9-14)12-13(2)16-3/h8-11,13,16H,4-7,12H2,1-3H3/t13-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.4662 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.372 g/mol  logS: -4.04886  SlogP: 3.56964  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0488066  Sterimol/B1: 3.35011  Sterimol/B2: 3.57619  Sterimol/B3: 3.77783
  Sterimol/B4: 4.43357  Sterimol/L: 17.0805 
 
 Surface and Volume Properties
  Accessible surface: 517.577  Positive charged surface: 390.286  Negative charged surface: 127.291  Volume: 262.625
  Hydrophobic surface: 465.542  Hydrophilic surface: 52.035
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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


MMs02822370
PUBCHEM-ZINC01842985