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PUBCHEM-ZINC05964845

 MMsINC code: MMs03465229
Type: Neutral
Formula: C10H21N
SMILES:   N1CCC(CC1)C(CC)CC
InChI:   InChI=1/C10H21N/c1-3-9(4-2)10-5-7-11-8-6-10/h9-11H,3-8H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.9135 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.285 g/mol  logS: -2.68773  SlogP: 2.4222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178233  Sterimol/B1: 2.4323  Sterimol/B2: 2.85405  Sterimol/B3: 3.55062
  Sterimol/B4: 5.56554  Sterimol/L: 10.5166 
 
 Surface and Volume Properties
  Accessible surface: 368.44  Positive charged surface: 296.459  Negative charged surface: 71.9812  Volume: 186.375
  Hydrophobic surface: 299.283  Hydrophilic surface: 69.157
 
 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


MMs03465230
PUBCHEM-ZINC05964845