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PUBCHEM-ZINC06791985

 MMsINC code: MMs03860401
Type: Neutral
Formula: C6H12NO5P
SMILES:   P(O)(=O)(CCC(O)=O)C(=O)N(C)C
InChI:   InChI=1/C6H12NO5P/c1-7(2)6(10)13(11,12)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)(H,11,12)

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Potential Energy
Epot(MMFF94)=27.8093 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.138 g/mol  logS: 0.98806  SlogP: -0.6571  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0589782  Sterimol/B1: 2.51716  Sterimol/B2: 3.17927  Sterimol/B3: 3.31659
  Sterimol/B4: 4.38136  Sterimol/L: 13.436 
 
 Surface and Volume Properties
  Accessible surface: 396.868  Positive charged surface: 278.896  Negative charged surface: 117.972  Volume: 176.375
  Hydrophobic surface: 202.08  Hydrophilic surface: 194.788
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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


MMs03860402
PUBCHEM-ZINC06791985