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ACROSORGANICS-ZINC01572442

 MMsINC code: MMs00009306
Type: Neutral
Formula: C6H14NO3P
SMILES:   P(O)(O)(=O)C1(N)CCCCC1
InChI:   InChI=1/C6H14NO3P/c7-6(11(8,9)10)4-2-1-3-5-6/h1-5,7H2,(H2,8,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-8.04215 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.156 g/mol  logS: -0.13948  SlogP: -0.287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.332168  Sterimol/B1: 3.12956  Sterimol/B2: 3.54307  Sterimol/B3: 3.9979
  Sterimol/B4: 4.18967  Sterimol/L: 10.1615 
 
 Surface and Volume Properties
  Accessible surface: 341.825  Positive charged surface: 233.625  Negative charged surface: 108.199  Volume: 158
  Hydrophobic surface: 180.678  Hydrophilic surface: 161.147
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.