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NCID-ZINC01726413

 MMsINC code: MMs02350107
Type: Neutral
Formula: C7H18NO4P
SMILES:   P(OCC)(OCC)(=O)NCCOC
InChI:   InChI=1/C7H18NO4P/c1-4-11-13(9,12-5-2)8-6-7-10-3/h4-7H2,1-3H3,(H,8,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-20.2503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.198 g/mol  logS: -0.10573  SlogP: 0.3333  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115164  Sterimol/B1: 2.56446  Sterimol/B2: 3.11647  Sterimol/B3: 4.39757
  Sterimol/B4: 7.38452  Sterimol/L: 12.4598 
 
 Surface and Volume Properties
  Accessible surface: 448.901  Positive charged surface: 350.181  Negative charged surface: 98.7206  Volume: 202.5
  Hydrophobic surface: 337.546  Hydrophilic surface: 111.355
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.