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PUBCHEM-ZINC06483447

 MMsINC code: MMs03759794
Type: Neutral
Formula: C18H12ClF3N2O2
SMILES:   Clc1ccc2NC(=O)NC(c2c1OC)(C#Cc1ccccc1)C(F)(F)F
InChI:   InChI=1/C18H12ClF3N2O2/c1-26-15-12(19)7-8-13-14(15)17(18(20,21)22,24-16(25)23-13)10-9-11-5-3-2-4-6-11/h2-8H,1H3,(H2,23,24,25)/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=88.9314 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.753 g/mol  logS: -6.11439  SlogP: 5.02441  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153034  Sterimol/B1: 3.07043  Sterimol/B2: 3.98287  Sterimol/B3: 4.58493
  Sterimol/B4: 7.31108  Sterimol/L: 13.9552 
 
 Surface and Volume Properties
  Accessible surface: 544.9  Positive charged surface: 242.977  Negative charged surface: 301.923  Volume: 307.875
  Hydrophobic surface: 372.363  Hydrophilic surface: 172.537
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.