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PUBCHEM-ZINC05647590

 MMsINC code: MMs03334396
Type: Neutral
Formula: C10H15N4O4P
SMILES:   P(O)(O)(=O)CC1CC(n2cnc(C(=O)N)c2N)C=C1
InChI:   InChI=1/C10H15N4O4P/c11-9-8(10(12)15)13-5-14(9)7-2-1-6(3-7)4-19(16,17)18/h1-2,5-7H,3-4,11H2,(H2,12,15)(H2,16,17,18)/t6-,7+/m1/s1

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Potential Energy
Epot(MMFF94)=-2.46043 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.228 g/mol  logS: -0.26368  SlogP: -1.1156  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0656773  Sterimol/B1: 2.38234  Sterimol/B2: 3.39743  Sterimol/B3: 3.77988
  Sterimol/B4: 5.20625  Sterimol/L: 15.9765 
 
 Surface and Volume Properties
  Accessible surface: 485.481  Positive charged surface: 314.066  Negative charged surface: 171.415  Volume: 241.125
  Hydrophobic surface: 167.127  Hydrophilic surface: 318.354
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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: no related molecules available.