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PUBCHEM-ZINC01846017

 MMsINC code: MMs02823977
Type: Neutral
Formula: C4H12NO3P
SMILES:   P(OC)(OC)(=O)N(C)C
InChI:   InChI=1/C4H12NO3P/c1-5(2)9(6,7-3)8-4/h1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-14.1976 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.118 g/mol  logS: 0.61575  SlogP: -0.1213  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.259004  Sterimol/B1: 2.3523  Sterimol/B2: 3.10982  Sterimol/B3: 4.16652
  Sterimol/B4: 4.98018  Sterimol/L: 9.45827 
 
 Surface and Volume Properties
  Accessible surface: 327.722  Positive charged surface: 286.565  Negative charged surface: 41.1569  Volume: 142
  Hydrophobic surface: 284.173  Hydrophilic surface: 43.549
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.