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PUBCHEM-ZINC01842426

 MMsINC code: MMs02822224
Type: Neutral
Formula: C3H8NO4P
SMILES:   P(OCC)(O)(=O)C(=O)N
InChI:   InChI=1/C3H8NO4P/c1-2-8-9(6,7)3(4)5/h2H2,1H3,(H2,4,5)(H,6,7)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.7774 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.074 g/mol  logS: 0.07207  SlogP: -0.7832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0934045  Sterimol/B1: 2.77035  Sterimol/B2: 3.04445  Sterimol/B3: 3.65165
  Sterimol/B4: 4.07174  Sterimol/L: 10.8942 
 
 Surface and Volume Properties
  Accessible surface: 323.177  Positive charged surface: 197.873  Negative charged surface: 125.304  Volume: 120.5
  Hydrophobic surface: 102.893  Hydrophilic surface: 220.284
 
 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.