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PUBCHEM-ZINC03734870

 MMsINC code: MMs03063173
Type: Neutral
Formula: C11H23N
SMILES:   N1CCCCCC1CCCCC
InChI:   InChI=1/C11H23N/c1-2-3-5-8-11-9-6-4-7-10-12-11/h11-12H,2-10H2,1H3/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=15.2308 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.312 g/mol  logS: -2.38804  SlogP: 3.0989  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0634207  Sterimol/B1: 2.78508  Sterimol/B2: 3.14638  Sterimol/B3: 3.98867
  Sterimol/B4: 4.01035  Sterimol/L: 14.044 
 
 Surface and Volume Properties
  Accessible surface: 417.962  Positive charged surface: 347.389  Negative charged surface: 70.5727  Volume: 207.375
  Hydrophobic surface: 381.99  Hydrophilic surface: 35.972
 
 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


MMs03063174
PUBCHEM-ZINC03734870