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PUBCHEM-ZINC03610650

 MMsINC code: MMs03021826
Type: Neutral
Formula: C10H17N4O5P
SMILES:   P(OCC)(OCC)(=O)NC(=O)Nc1ncc(OC)cn1
InChI:   InChI=1/C10H17N4O5P/c1-4-18-20(16,19-5-2)14-10(15)13-9-11-6-8(17-3)7-12-9/h6-7H,4-5H2,1-3H3,(H2,11,12,13,14,15,16)

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Potential Energy
Epot(MMFF94)=-34.4967 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.243 g/mol  logS: -1.77035  SlogP: 0.7176  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152546  Sterimol/B1: 2.31847  Sterimol/B2: 2.47636  Sterimol/B3: 5.25328
  Sterimol/B4: 9.76707  Sterimol/L: 14.4331 
 
 Surface and Volume Properties
  Accessible surface: 561.598  Positive charged surface: 434.232  Negative charged surface: 127.367  Volume: 263.25
  Hydrophobic surface: 370.66  Hydrophilic surface: 190.938
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 7  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.