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PUBCHEM-ZINC02029173

 MMsINC code: MMs02858414
Type: Neutral
Formula: C11H24N2
SMILES:   NCCCCCCN1CCCCC1
InChI:   InChI=1/C11H24N2/c12-8-4-1-2-5-9-13-10-6-3-7-11-13/h1-12H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.4516 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.327 g/mol  logS: -0.74102  SlogP: 1.9914  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0416317  Sterimol/B1: 2.91129  Sterimol/B2: 3.26756  Sterimol/B3: 3.36088
  Sterimol/B4: 4.33728  Sterimol/L: 15.8312 
 
 Surface and Volume Properties
  Accessible surface: 463.959  Positive charged surface: 407.19  Negative charged surface: 56.7691  Volume: 218.375
  Hydrophobic surface: 394.314  Hydrophilic surface: 69.645
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs02858415
PUBCHEM-ZINC02029173