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ENAMINE-ZINC04218863

 MMsINC code: MMs01535922
Type: Neutral
Formula: C10H19N
SMILES:   NC1CC2C(CC1)CCCC2
InChI:   InChI=1/C10H19N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h8-10H,1-7,11H2/t8-,9-,10-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.69861 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.269 g/mol  logS: -2.71188  SlogP: 2.304  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124987  Sterimol/B1: 2.59752  Sterimol/B2: 3.14898  Sterimol/B3: 3.76105
  Sterimol/B4: 4.4426  Sterimol/L: 10.9502 
 
 Surface and Volume Properties
  Accessible surface: 354.386  Positive charged surface: 296.356  Negative charged surface: 58.0298  Volume: 175.125
  Hydrophobic surface: 294.074  Hydrophilic surface: 60.312
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs01535923
ENAMINE-ZINC04218863