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MAYBRIDGE-ZINC00982093

 MMsINC code: MMs02147755
Type: Neutral
Formula: C12H23N
SMILES:   N(C1CCCCC1)C1CCCCC1
InChI:   InChI=1/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.96223 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.323 g/mol  logS: -2.29976  SlogP: 3.2414  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121792  Sterimol/B1: 3.23701  Sterimol/B2: 3.31664  Sterimol/B3: 3.64012
  Sterimol/B4: 3.79114  Sterimol/L: 12.8649 
 
 Surface and Volume Properties
  Accessible surface: 418.367  Positive charged surface: 343.258  Negative charged surface: 75.1095  Volume: 211.25
  Hydrophobic surface: 405.821  Hydrophilic surface: 12.546
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02147756
MAYBRIDGE-ZINC00982093