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NIH-ZINC00196466

 MMsINC code: MMs02520363
Type: Neutral
Formula: C10H16NO5PS
SMILES:   S(=O)(=O)(N(CP(O)(=O)C(O)c1ccccc1)C)C
InChI:   InChI=1/C10H16NO5PS/c1-11(18(2,15)16)8-17(13,14)10(12)9-6-4-3-5-7-9/h3-7,10,12H,8H2,1-2H3,(H,13,14)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=65.6438 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.28 g/mol  logS: -0.04727  SlogP: -0.1779  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0826527  Sterimol/B1: 2.15981  Sterimol/B2: 3.51538  Sterimol/B3: 4.07442
  Sterimol/B4: 5.55245  Sterimol/L: 14.509 
 
 Surface and Volume Properties
  Accessible surface: 476.111  Positive charged surface: 272.738  Negative charged surface: 203.373  Volume: 248.125
  Hydrophobic surface: 348.625  Hydrophilic surface: 127.486
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02520364
NIH-ZINC00196466