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ASINEX-ZINC03070692

 MMsINC code: MMs00285362
Type: Neutral
Formula: C8H12NO5PS
SMILES:   S(=O)(=O)(NP(OC)(OC)=O)c1ccccc1
InChI:   InChI=1/C8H12NO5PS/c1-13-15(10,14-2)9-16(11,12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,9,10)

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Potential Energy
Epot(MMFF94)=-49.2813 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.226 g/mol  logS: -1.63826  SlogP: 0.2956  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.239466  Sterimol/B1: 3.4383  Sterimol/B2: 3.5117  Sterimol/B3: 4.74163
  Sterimol/B4: 5.29783  Sterimol/L: 12.0205 
 
 Surface and Volume Properties
  Accessible surface: 418.01  Positive charged surface: 265.694  Negative charged surface: 152.316  Volume: 213.5
  Hydrophobic surface: 301.178  Hydrophilic surface: 116.832
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.