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NCID-ZINC01614479

 MMsINC code: MMs02264313
Type: Neutral
Formula: C8H17N
SMILES:   N1CCC(CC1)CCC
InChI:   InChI=1/C8H17N/c1-2-3-8-4-6-9-7-5-8/h8-9H,2-7H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.80299 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 127.231 g/mol  logS: -1.65729  SlogP: 1.7861  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119299  Sterimol/B1: 2.74468  Sterimol/B2: 3.06227  Sterimol/B3: 3.74077
  Sterimol/B4: 3.90612  Sterimol/L: 10.7932 
 
 Surface and Volume Properties
  Accessible surface: 339.167  Positive charged surface: 287.068  Negative charged surface: 52.0993  Volume: 153.25
  Hydrophobic surface: 288.18  Hydrophilic surface: 50.987
 
 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


MMs02264314
NCID-ZINC01614479