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PUBCHEM-ZINC03869759

 MMsINC code: MMs03078880
Type: Neutral
Formula: C4H10NO5P
SMILES:   P(O)(O)(=O)CCCN(O)C=O
InChI:   InChI=1/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-23.5415 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.1 g/mol  logS: 1.00497  SlogP: -1.6684  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103454  Sterimol/B1: 3.04502  Sterimol/B2: 3.30896  Sterimol/B3: 3.49509
  Sterimol/B4: 3.53067  Sterimol/L: 11.8085 
 
 Surface and Volume Properties
  Accessible surface: 355.725  Positive charged surface: 212.644  Negative charged surface: 143.081  Volume: 146
  Hydrophobic surface: 108.571  Hydrophilic surface: 247.154
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.