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PUBCHEM-ZINC06292542

 MMsINC code: MMs03659979
Type: Neutral
Formula: C3H10NO5P
SMILES:   P(OCC(N)CO)(O)(O)=O
InChI:   InChI=1/C3H10NO5P/c4-3(1-5)2-9-10(6,7)8/h3,5H,1-2,4H2,(H2,6,7,8)/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=-52.9772 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.089 g/mol  logS: 1.3356  SlogP: -2.6549  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0886587  Sterimol/B1: 2.67009  Sterimol/B2: 3.13732  Sterimol/B3: 3.25497
  Sterimol/B4: 4.1986  Sterimol/L: 11.6451 
 
 Surface and Volume Properties
  Accessible surface: 348.193  Positive charged surface: 229.269  Negative charged surface: 118.924  Volume: 131.375
  Hydrophobic surface: 88.6711  Hydrophilic surface: 259.5219
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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


MMs03659980
PUBCHEM-ZINC06292542