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PUBCHEM-ZINC04481446

 MMsINC code: MMs03125346
Type: Ionized
Formula: C10H11ClN3O6P-2
SMILES:   ClCC(=O)N\N=C/c1c(O)c(ncc1COP(=O)([O-])[O-])C
InChI:   InChI=1/C10H13ClN3O6P/c1-6-10(16)8(4-13-14-9(15)2-11)7(3-12-6)5-20-21(17,18)19/h3-4,16H,2,5H2,1H3,(H,14,15)(H2,17,18,19)/p-2/b13-4-

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Potential Energy
Epot(MMFF94)=38.9292 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.64 g/mol  logS: -0.93047  SlogP: -1.67398  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.183505  Sterimol/B1: 2.25807  Sterimol/B2: 3.74839  Sterimol/B3: 4.57119
  Sterimol/B4: 7.9044  Sterimol/L: 13.2846 
 
 Surface and Volume Properties
  Accessible surface: 510.459  Positive charged surface: 232.884  Negative charged surface: 277.575  Volume: 257.75
  Hydrophobic surface: 209.076  Hydrophilic surface: 301.383
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 3  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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MMs03125345
PUBCHEM-ZINC04481446