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NCID-ZINC01556128

 MMsINC code: MMs02219670
Type: Neutral
Formula: C9H19N
SMILES:   N1(CCCCC1)CCCC
InChI:   InChI=1/C9H19N/c1-2-3-7-10-8-5-4-6-9-10/h2-9H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.72642 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 141.258 g/mol  logS: -1.28678  SlogP: 2.2724  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0801469  Sterimol/B1: 2.83887  Sterimol/B2: 3.27949  Sterimol/B3: 3.43629
  Sterimol/B4: 4.26454  Sterimol/L: 12.4719 
 
 Surface and Volume Properties
  Accessible surface: 375.144  Positive charged surface: 315.002  Negative charged surface: 60.142  Volume: 173.625
  Hydrophobic surface: 350.512  Hydrophilic surface: 24.632
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02219671
NCID-ZINC01556128