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NCID-ZINC01590447

 MMsINC code: MMs02245404
Type: Neutral
Formula: C3H10NO4P
SMILES:   P(O)(O)(=O)CCCNO
InChI:   InChI=1/C3H10NO4P/c5-4-2-1-3-9(6,7)8/h4-5H,1-3H2,(H2,6,7,8)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-31.2955 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.09 g/mol  logS: 1.38246  SlogP: -1.5372  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0874619  Sterimol/B1: 3.17458  Sterimol/B2: 3.21364  Sterimol/B3: 3.30612
  Sterimol/B4: 3.319  Sterimol/L: 11.948 
 
 Surface and Volume Properties
  Accessible surface: 330.642  Positive charged surface: 209.932  Negative charged surface: 120.71  Volume: 126.5
  Hydrophobic surface: 103.025  Hydrophilic surface: 227.617
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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.