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IBS-ZINC05246880

 MMsINC code: MMs01934326
Type: Neutral
Formula: C6H10N3O4PS
SMILES:   s1ccnc1NC(=O)NP(OC)(OC)=O
InChI:   InChI=1/C6H10N3O4PS/c1-12-14(11,13-2)9-5(10)8-6-7-3-4-15-6/h3-4H,1-2H3,(H2,7,8,9,10,11)

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Potential Energy
Epot(MMFF94)=-35.2241 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.203 g/mol  logS: -1.03232  SlogP: 0.5953  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105206  Sterimol/B1: 2.21105  Sterimol/B2: 3.08875  Sterimol/B3: 3.69763
  Sterimol/B4: 7.45203  Sterimol/L: 12.6379 
 
 Surface and Volume Properties
  Accessible surface: 437.629  Positive charged surface: 304.345  Negative charged surface: 133.285  Volume: 196.25
  Hydrophobic surface: 305.397  Hydrophilic surface: 132.232
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.