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AURORAFEINCHEMIE-ZINC02391337

 MMsINC code: MMs00452946
Type: Neutral
Formula: C8H16NO4PS
SMILES:   S=P(OCCN1CCCC1=O)(OC)OC
InChI:   InChI=1/C8H16NO4PS/c1-11-14(15,12-2)13-7-6-9-5-3-4-8(9)10/h3-7H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.0929 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.259 g/mol  logS: -1.41833  SlogP: 1.1427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10782  Sterimol/B1: 2.43513  Sterimol/B2: 3.88941  Sterimol/B3: 4.23555
  Sterimol/B4: 6.93471  Sterimol/L: 12.0778 
 
 Surface and Volume Properties
  Accessible surface: 454.739  Positive charged surface: 344.277  Negative charged surface: 110.462  Volume: 224.875
  Hydrophobic surface: 355.303  Hydrophilic surface: 99.436
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.