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PUBCHEM-ZINC06865177

 MMsINC code: MMs03883306
Type: Ionized
Formula: C10H9Cl2N4O4-
SMILES:   Clc1nc(Cl)nc2n(cnc12)C1OC(CO)C(O)C1[O-]
InChI:   InChI=1/C10H9Cl2N4O4/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-18H,1H2/q-1/t3-,5+,6-,9+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.8564 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.112 g/mol  logS: -3.38364  SlogP: 0.2783  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.108382  Sterimol/B1: 2.15217  Sterimol/B2: 3.8264  Sterimol/B3: 4.1323
  Sterimol/B4: 6.67073  Sterimol/L: 13.7594 
 
 Surface and Volume Properties
  Accessible surface: 479.787  Positive charged surface: 224.093  Negative charged surface: 255.694  Volume: 239.375
  Hydrophobic surface: 298.936  Hydrophilic surface: 180.851
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 1  Basic groups: 0
  Chiral centers: 4
 
 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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MMs03883305
PUBCHEM-ZINC06865177