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CHEMBRIDGE-ZINC03002599

 MMsINC code: MMs00750791
Type: Neutral
Formula: C20H10Cl2F4N4O
SMILES:   Clc1cc(Cl)ccc1NC(=O)c1c2n(nc1)C(=CC(=N2)c1ccc(F)cc1)C(F)(F)F
InChI:   InChI=1/C20H10Cl2F4N4O/c21-11-3-6-15(14(22)7-11)29-19(31)13-9-27-30-17(20(24,25)26)8-16(28-18(13)30)10-1-4-12(23)5-2-10/h1-9H,(H,29,31)

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Potential Energy
Epot(MMFF94)=99.2127 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 469.225 g/mol  logS: -7.78648  SlogP: 6.5388  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0141967  Sterimol/B1: 2.84537  Sterimol/B2: 3.18775  Sterimol/B3: 3.87556
  Sterimol/B4: 8.44532  Sterimol/L: 17.5933 
 
 Surface and Volume Properties
  Accessible surface: 656.227  Positive charged surface: 220.078  Negative charged surface: 436.149  Volume: 359.5
  Hydrophobic surface: 503.009  Hydrophilic surface: 153.218
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0
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Ions/Tautomers related molecules: no related molecules available.