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NCID-ZINC05519143

 MMsINC code: MMs02469913
Type: Neutral
Formula: C4H12NO4PS
SMILES:   S(=O)(CCC(P(O)(O)=O)N)C
InChI:   InChI=1/C4H12NO4PS/c1-11(9)3-2-4(5)10(6,7)8/h4H,2-3,5H2,1H3,(H2,6,7,8)/t4-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=1.86536 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.183 g/mol  logS: 1.04447  SlogP: -1.8527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125156  Sterimol/B1: 2.96445  Sterimol/B2: 3.4911  Sterimol/B3: 3.74592
  Sterimol/B4: 4.01421  Sterimol/L: 11.2491 
 
 Surface and Volume Properties
  Accessible surface: 368.167  Positive charged surface: 230.98  Negative charged surface: 137.187  Volume: 159.5
  Hydrophobic surface: 159.316  Hydrophilic surface: 208.851
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.