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PUBCHEM-ZINC03644024

 MMsINC code: MMs03032367
Type: Neutral
Formula: C11H12NO4PS
SMILES:   S=P(Oc1noc(c1)-c1ccccc1)(OC)OC
InChI:   InChI=1/C11H12NO4PS/c1-13-17(18,14-2)16-11-8-10(15-12-11)9-6-4-3-5-7-9/h3-8H,1-2H3

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Potential Energy
Epot(MMFF94)=58.4359 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.26 g/mol  logS: -4.17409  SlogP: 3.2377  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0502715  Sterimol/B1: 2.42676  Sterimol/B2: 2.55366  Sterimol/B3: 4.45592
  Sterimol/B4: 5.67127  Sterimol/L: 15.2808 
 
 Surface and Volume Properties
  Accessible surface: 485.297  Positive charged surface: 283.137  Negative charged surface: 202.16  Volume: 242.75
  Hydrophobic surface: 376.887  Hydrophilic surface: 108.41
 
 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.