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NCID-ZINC01723483

 MMsINC code: MMs02347748
Type: Neutral
Formula: C8H20NO3P
SMILES:   P(OCC)(OCC)(=O)CCN(C)C
InChI:   InChI=1/C8H20NO3P/c1-5-11-13(10,12-6-2)8-7-9(3)4/h5-8H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.10757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.226 g/mol  logS: -0.16369  SlogP: 0.7439  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0597703  Sterimol/B1: 2.07135  Sterimol/B2: 2.64327  Sterimol/B3: 3.94056
  Sterimol/B4: 8.15107  Sterimol/L: 13.2 
 
 Surface and Volume Properties
  Accessible surface: 462.815  Positive charged surface: 374.904  Negative charged surface: 87.9112  Volume: 213.625
  Hydrophobic surface: 377.909  Hydrophilic surface: 84.906
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02347749
NCID-ZINC01723483