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APOLLO-ZINC02155185

 MMsINC code: MMs00050677
Type: Neutral
Formula: C18H11Cl3F3N5O2
SMILES:   Clc1c(nc(Cl)nc1Cl)Nc1cc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1
InChI:   InChI=1/C18H11Cl3F3N5O2/c19-13-14(20)28-16(21)29-15(13)25-10-2-1-3-11(8-10)27-17(30)26-9-4-6-12(7-5-9)31-18(22,23)24/h1-8H,(H,25,28,29)(H2,26,27,30)

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Potential Energy
Epot(MMFF94)=96.0786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 492.672 g/mol  logS: -8.39169  SlogP: 7.1429  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0404935  Sterimol/B1: 2.27525  Sterimol/B2: 2.89989  Sterimol/B3: 4.92283
  Sterimol/B4: 8.80343  Sterimol/L: 19.2273 
 
 Surface and Volume Properties
  Accessible surface: 693.014  Positive charged surface: 244.368  Negative charged surface: 448.646  Volume: 369.25
  Hydrophobic surface: 458.55  Hydrophilic surface: 234.464
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.