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NCID-ZINC01720558

 MMsINC code: MMs02345551
Type: Neutral
Formula: C3H8NO4P
SMILES:   P(OC)(O)(=O)NC(=O)C
InChI:   InChI=1/C3H8NO4P/c1-3(5)4-9(6,7)8-2/h1-2H3,(H2,4,5,6,7)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-60.3109 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.074 g/mol  logS: 0.44195  SlogP: -1.2009  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181797  Sterimol/B1: 2.65037  Sterimol/B2: 3.17356  Sterimol/B3: 3.4732
  Sterimol/B4: 4.89577  Sterimol/L: 9.29335 
 
 Surface and Volume Properties
  Accessible surface: 308.013  Positive charged surface: 194.451  Negative charged surface: 113.562  Volume: 120.875
  Hydrophobic surface: 168.371  Hydrophilic surface: 139.642
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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: no related molecules available.