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APOLLO-ZINC02557697

 MMsINC code: MMs00053521
Type: Neutral
Formula: C19H12Cl2F3N3O2
SMILES:   Clc1cc(cnc1COc1ccc(NC(=O)c2ccc(Cl)nc2)cc1)C(F)(F)F
InChI:   InChI=1/C19H12Cl2F3N3O2/c20-15-7-12(19(22,23)24)9-25-16(15)10-29-14-4-2-13(3-5-14)27-18(28)11-1-6-17(21)26-8-11/h1-9H,10H2,(H,27,28)

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Potential Energy
Epot(MMFF94)=111.793 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 442.224 g/mol  logS: -5.64618  SlogP: 6.2114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0213159  Sterimol/B1: 3.08892  Sterimol/B2: 3.41284  Sterimol/B3: 4.04592
  Sterimol/B4: 4.56735  Sterimol/L: 22.8262 
 
 Surface and Volume Properties
  Accessible surface: 665.254  Positive charged surface: 272.813  Negative charged surface: 392.441  Volume: 346.625
  Hydrophobic surface: 479.321  Hydrophilic surface: 185.933
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.