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NCID-ZINC01693421

 MMsINC code: MMs02324896
Type: Neutral
Formula: C16H35N
SMILES:   N(C(CCCCCC)C)C(CCCCCC)C
InChI:   InChI=1/C16H35N/c1-5-7-9-11-13-15(3)17-16(4)14-12-10-8-6-2/h15-17H,5-14H2,1-4H3/t15-,16-/m1/s1

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Potential Energy
Epot(MMFF94)=1.48728 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.463 g/mol  logS: -5.19162  SlogP: 5.2938  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0946766  Sterimol/B1: 2.14177  Sterimol/B2: 3.47054  Sterimol/B3: 5.14433
  Sterimol/B4: 5.71602  Sterimol/L: 19.2121 
 
 Surface and Volume Properties
  Accessible surface: 596.779  Positive charged surface: 477.943  Negative charged surface: 118.836  Volume: 306.25
  Hydrophobic surface: 506.433  Hydrophilic surface: 90.346
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs02324897
NCID-ZINC01693421