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NCID-ZINC05923670

 MMsINC code: MMs02511618
Type: Neutral
Formula: C10H10ClFN5O6P
SMILES:   Clc1nc2c(nc(F)nc2N)n1C1OC2C(OP(OC2)(O)=O)C1O
InChI:   InChI=1/C10H10ClFN5O6P/c11-9-14-3-6(13)15-10(12)16-7(3)17(9)8-4(18)5-2(22-8)1-21-24(19,20)23-5/h2,4-5,8,18H,1H2,(H,19,20)(H2,13,15,16)/t2-,4-,5-,8+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.8131 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.644 g/mol  logS: -3.67957  SlogP: -0.9996  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.115053  Sterimol/B1: 2.36416  Sterimol/B2: 4.26192  Sterimol/B3: 5.16322
  Sterimol/B4: 6.51498  Sterimol/L: 13.9828 
 
 Surface and Volume Properties
  Accessible surface: 502.27  Positive charged surface: 261.961  Negative charged surface: 240.309  Volume: 261.75
  Hydrophobic surface: 192.045  Hydrophilic surface: 310.225
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02511619
NCID-ZINC05923670