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PUBCHEM-ZINC03092848

 MMsINC code: MMs02992424
Type: Neutral
Formula: C8H20NP
SMILES:   P(NC(C)(C)C)(CC)CC
InChI:   InChI=1/C8H20NP/c1-6-10(7-2)9-8(3,4)5/h9H,6-7H2,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.2984 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 161.229 g/mol  logS: -0.58508  SlogP: 2.8112  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.202752  Sterimol/B1: 2.30511  Sterimol/B2: 3.01412  Sterimol/B3: 3.61341
  Sterimol/B4: 6.82234  Sterimol/L: 10.3983 
 
 Surface and Volume Properties
  Accessible surface: 385.67  Positive charged surface: 289.94  Negative charged surface: 95.7297  Volume: 190
  Hydrophobic surface: 282.668  Hydrophilic surface: 103.002
 
 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: no related molecules available.