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KEYORGANICS-ZINC01385611

 MMsINC code: MMs02096074
Type: Neutral
Formula: C25H18ClFN2O4
SMILES:   Clc1cccc(F)c1-c1noc(C)c1C(=O)N1OCC2C1c1c3c(ccc1OC2)cccc3
InChI:   InChI=1/C25H18ClFN2O4/c1-13-20(23(28-33-13)22-17(26)7-4-8-18(22)27)25(30)29-24-15(12-32-29)11-31-19-10-9-14-5-2-3-6-16(14)21(19)24/h2-10,15,24H,11-12H2,1H3/t15-,24-/m1/s1

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Potential Energy
Epot(MMFF94)=149.355 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 464.88 g/mol  logS: -8.13394  SlogP: 5.82852  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.371257  Sterimol/B1: 2.52049  Sterimol/B2: 4.20813  Sterimol/B3: 5.94093
  Sterimol/B4: 9.40154  Sterimol/L: 13.838 
 
 Surface and Volume Properties
  Accessible surface: 641.233  Positive charged surface: 337.133  Negative charged surface: 298.343  Volume: 398.25
  Hydrophobic surface: 603.234  Hydrophilic surface: 37.999
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.