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ACROSORGANICS-ZINC01677582

 MMsINC code: MMs00010663
Type: Neutral
Formula: C8H20N2
SMILES:   NCCCCCCCCN
InChI:   InChI=1/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-6.18285 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.262 g/mol  logS: -0.81078  SlogP: 1.2444  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0342977  Sterimol/B1: 2.13046  Sterimol/B2: 2.37501  Sterimol/B3: 2.37613
  Sterimol/B4: 3.01129  Sterimol/L: 15.4342 
 
 Surface and Volume Properties
  Accessible surface: 411.689  Positive charged surface: 358.724  Negative charged surface: 52.965  Volume: 179.625
  Hydrophobic surface: 275.448  Hydrophilic surface: 136.241
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00010664
ACROSORGANICS-ZINC01677582