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PUBCHEM-ZINC03734871

 MMsINC code: MMs03063175
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-/m1/s1

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Potential Energy
Epot(MMFF94)=14.6371 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: 0.062678  Sterimol/B1: 2.91558  Sterimol/B2: 2.97449  Sterimol/B3: 3.81776
  Sterimol/B4: 3.99596  Sterimol/L: 14.0177 
 
 Surface and Volume Properties
  Accessible surface: 418.925  Positive charged surface: 345.218  Negative charged surface: 73.7075  Volume: 207.25
  Hydrophobic surface: 381.341  Hydrophilic surface: 37.584
 
 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


MMs03063176
PUBCHEM-ZINC03734871