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IFLAB-ZINC01706948

 MMsINC code: MMs01985270
Type: Neutral
Formula: C6H14NO4P
SMILES:   P(OCC)(OCC)(=O)CC(=O)N
InChI:   InChI=1/C6H14NO4P/c1-3-10-12(9,11-4-2)5-6(7)8/h3-5H2,1-2H3,(H2,7,8)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-7.4192 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.155 g/mol  logS: -0.54436  SlogP: -0.3324  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115375  Sterimol/B1: 2.10811  Sterimol/B2: 3.12966  Sterimol/B3: 3.60996
  Sterimol/B4: 7.91176  Sterimol/L: 11.6757 
 
 Surface and Volume Properties
  Accessible surface: 408.081  Positive charged surface: 281.222  Negative charged surface: 126.859  Volume: 177
  Hydrophobic surface: 224.876  Hydrophilic surface: 183.205
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.