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NCID-ZINC01707651

 MMsINC code: MMs02335808
Type: Neutral
Formula: C8H20NO3P
SMILES:   P(OCC)(OCC)(=O)C(N)CCC
InChI:   InChI=1/C8H20NO3P/c1-4-7-8(9)13(10,11-5-2)12-6-3/h8H,4-7,9H2,1-3H3/t8-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.7532 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.226 g/mol  logS: -0.88209  SlogP: 1.2672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0898143  Sterimol/B1: 3.26695  Sterimol/B2: 3.36195  Sterimol/B3: 5.31543
  Sterimol/B4: 5.52861  Sterimol/L: 12.858 
 
 Surface and Volume Properties
  Accessible surface: 442.087  Positive charged surface: 327.18  Negative charged surface: 114.907  Volume: 210
  Hydrophobic surface: 291.479  Hydrophilic surface: 150.608
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.