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PUBCHEM-ZINC05932804

 MMsINC code: MMs03450745
Type: Neutral
Formula: C11H13Cl2N3O3
SMILES:   Clc1cc2n(COC(CO)CO)c(nc2cc1Cl)N
InChI:   InChI=1/C11H13Cl2N3O3/c12-7-1-9-10(2-8(7)13)16(11(14)15-9)5-19-6(3-17)4-18/h1-2,6,17-18H,3-5H2,(H2,14,15)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.984 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.149 g/mol  logS: -2.93285  SlogP: 1.519  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100784  Sterimol/B1: 3.29498  Sterimol/B2: 3.79643  Sterimol/B3: 5.33203
  Sterimol/B4: 5.85448  Sterimol/L: 13.9826 
 
 Surface and Volume Properties
  Accessible surface: 502.702  Positive charged surface: 292.486  Negative charged surface: 210.216  Volume: 250.5
  Hydrophobic surface: 314.63  Hydrophilic surface: 188.072
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.