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PUBCHEM-ZINC05843921

 MMsINC code: MMs03412359
Type: Neutral
Formula: C5H10N-
SMILES:   [N-]1CCCCC1
InChI:   InChI=1/C5H10N/c1-2-4-6-5-3-1/h1-5H2/q-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.17495 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 84.142 g/mol  logS: -0.13602  SlogP: 1.544  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.299311  Sterimol/B1: 2.55112  Sterimol/B2: 2.56468  Sterimol/B3: 3.16325
  Sterimol/B4: 4.8104  Sterimol/L: 7.24844 
 
 Surface and Volume Properties
  Accessible surface: 255.403  Positive charged surface: 185.185  Negative charged surface: 70.2185  Volume: 99.125
  Hydrophobic surface: 233.655  Hydrophilic surface: 21.748
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 1  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: no related molecules available.