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PUBCHEM-ZINC02581955

 MMsINC code: MMs02904103
Type: Neutral
Formula: C10H23N
SMILES:   N(CC(CCCC)CC)(C)C
InChI:   InChI=1/C10H23N/c1-5-7-8-10(6-2)9-11(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)=20.2214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.301 g/mol  logS: -2.28006  SlogP: 2.7644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143651  Sterimol/B1: 3.12639  Sterimol/B2: 3.5283  Sterimol/B3: 3.57176
  Sterimol/B4: 6.13697  Sterimol/L: 12.3227 
 
 Surface and Volume Properties
  Accessible surface: 418.233  Positive charged surface: 356.243  Negative charged surface: 61.9894  Volume: 201.625
  Hydrophobic surface: 372.336  Hydrophilic surface: 45.897
 
 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


MMs02904104
PUBCHEM-ZINC02581955