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PUBCHEM-ZINC01529994

 MMsINC code: MMs02813191
Type: Neutral
Formula: C6H10N3O4P
SMILES:   P(OCc1cnc(nc1N)C)(O)(O)=O
InChI:   InChI=1/C6H10N3O4P/c1-4-8-2-5(6(7)9-4)3-13-14(10,11)12/h2H,3H2,1H3,(H2,7,8,9)(H2,10,11,12)

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Potential Energy
Epot(MMFF94)=-70.5365 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.137 g/mol  logS: 0.12923  SlogP: -0.82728  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.047515  Sterimol/B1: 2.55611  Sterimol/B2: 3.16761  Sterimol/B3: 3.26608
  Sterimol/B4: 5.50095  Sterimol/L: 12.8797 
 
 Surface and Volume Properties
  Accessible surface: 406.008  Positive charged surface: 260.305  Negative charged surface: 145.703  Volume: 174.625
  Hydrophobic surface: 153.04  Hydrophilic surface: 252.968
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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


MMs02813192
PUBCHEM-ZINC01529994