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PUBCHEM-ZINC05820690

 MMsINC code: MMs03399663
Type: Neutral
Formula: C10H23N
SMILES:   N(C(CCC)C)CCCCC
InChI:   InChI=1/C10H23N/c1-4-6-7-9-11-10(3)8-5-2/h10-11H,4-9H2,1-3H3/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=-3.60437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.301 g/mol  logS: -2.28831  SlogP: 2.9548  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.056809  Sterimol/B1: 2.6368  Sterimol/B2: 3.23287  Sterimol/B3: 3.91465
  Sterimol/B4: 4.88516  Sterimol/L: 14.4988 
 
 Surface and Volume Properties
  Accessible surface: 438.329  Positive charged surface: 349.932  Negative charged surface: 88.3975  Volume: 203.5
  Hydrophobic surface: 358.748  Hydrophilic surface: 79.581
 
 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


MMs03399664
PUBCHEM-ZINC05820690