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APOLLO-ZINC00152927

 MMsINC code: MMs00043877
Type: Neutral
Formula: C15H8ClF2N3O2
SMILES:   Clc1nc(Oc2ccc(F)cc2)nc(Oc2ccc(F)cc2)n1
InChI:   InChI=1/C15H8ClF2N3O2/c16-13-19-14(22-11-5-1-9(17)2-6-11)21-15(20-13)23-12-7-3-10(18)4-8-12/h1-8H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.0141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.697 g/mol  logS: -7.14509  SlogP: 4.3878  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0549533  Sterimol/B1: 2.48252  Sterimol/B2: 3.19696  Sterimol/B3: 4.83134
  Sterimol/B4: 5.10548  Sterimol/L: 16.9224 
 
 Surface and Volume Properties
  Accessible surface: 540.162  Positive charged surface: 227.893  Negative charged surface: 312.269  Volume: 271.375
  Hydrophobic surface: 488.124  Hydrophilic surface: 52.038
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.