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SIAL-ZINC03136408

 MMsINC code: MMs03915401
Type: Neutral
Formula: C10H23N
SMILES:   N(C(CCCCCC)C)(C)C
InChI:   InChI=1/C10H23N/c1-5-6-7-8-9-10(2)11(3)4/h10H,5-9H2,1-4H3/t10-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.3998 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.301 g/mol  logS: -2.4055  SlogP: 2.9069  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0869886  Sterimol/B1: 3.17228  Sterimol/B2: 3.40201  Sterimol/B3: 3.55877
  Sterimol/B4: 4.50353  Sterimol/L: 13.6211 
 
 Surface and Volume Properties
  Accessible surface: 420.79  Positive charged surface: 362.07  Negative charged surface: 58.7203  Volume: 201.875
  Hydrophobic surface: 379.25  Hydrophilic surface: 41.54
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs03915402
SIAL-ZINC03136408