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MDPI-ZINC01677674

 MMsINC code: MMs02175935
Type: Neutral
Formula: C7H16N2O
SMILES:   O=C(NN)CCCCCC
InChI:   InChI=1/C7H16N2O/c1-2-3-4-5-6-7(10)9-8/h2-6,8H2,1H3,(H,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.5684 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.218 g/mol  logS: -2.11904  SlogP: 0.9467  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0340442  Sterimol/B1: 2.47749  Sterimol/B2: 2.49184  Sterimol/B3: 2.85091
  Sterimol/B4: 3.13703  Sterimol/L: 14.3378 
 
 Surface and Volume Properties
  Accessible surface: 381.048  Positive charged surface: 290.799  Negative charged surface: 90.2487  Volume: 158.875
  Hydrophobic surface: 222.712  Hydrophilic surface: 158.336
 
 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: no related molecules available.