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PUBCHEM-ZINC02855542

 MMsINC code: MMs02940801
Type: Neutral
Formula: C18H12ClF5N4O2
SMILES:   Clc1cc(NC(=O)Nc2nn(cc2)Cc2c(F)c(F)c(F)c(F)c2F)c(OC)cc1
InChI:   InChI=1/C18H12ClF5N4O2/c1-30-11-3-2-8(19)6-10(11)25-18(29)26-12-4-5-28(27-12)7-9-13(20)15(22)17(24)16(23)14(9)21/h2-6H,7H2,1H3,(H2,25,26,27,29)

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Potential Energy
Epot(MMFF94)=63.3629 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 446.763 g/mol  logS: -5.92083  SlogP: 5.1993  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0421964  Sterimol/B1: 2.53019  Sterimol/B2: 3.99069  Sterimol/B3: 4.20009
  Sterimol/B4: 8.67358  Sterimol/L: 17.0702 
 
 Surface and Volume Properties
  Accessible surface: 645.444  Positive charged surface: 324.471  Negative charged surface: 320.974  Volume: 340.25
  Hydrophobic surface: 531.191  Hydrophilic surface: 114.253
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.