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PUBCHEM-ZINC05439507

 MMsINC code: MMs03269597
Type: Neutral
Formula: C16H34N2
SMILES:   N(CC1CCC(CC1)CNC(C)(C)C)C(C)(C)C
InChI:   InChI=1/C16H34N2/c1-15(2,3)17-11-13-7-9-14(10-8-13)12-18-16(4,5)6/h13-14,17-18H,7-12H2,1-6H3/t13-,14-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.3202 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.462 g/mol  logS: -2.19626  SlogP: 3.569  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.059111  Sterimol/B1: 2.92212  Sterimol/B2: 3.47764  Sterimol/B3: 3.91466
  Sterimol/B4: 4.93829  Sterimol/L: 16.464 
 
 Surface and Volume Properties
  Accessible surface: 559.061  Positive charged surface: 428.533  Negative charged surface: 130.528  Volume: 304.375
  Hydrophobic surface: 433.554  Hydrophilic surface: 125.507
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03269598
PUBCHEM-ZINC05439507