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CHEMDIV-ZINC04757102

 MMsINC code: MMs00947049
Type: Neutral
Formula: C26H24ClFN2O4
SMILES:   Clc1cc(NC(=O)C2CCC(=O)N(C2c2ccc(F)cc2)c2ccc(OC)cc2)ccc1OC
InChI:   InChI=1/C26H24ClFN2O4/c1-33-20-10-8-19(9-11-20)30-24(31)14-12-21(25(30)16-3-5-17(28)6-4-16)26(32)29-18-7-13-23(34-2)22(27)15-18/h3-11,13,15,21,25H,12,14H2,1-2H3,(H,29,32)/t21-,25-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=204.976 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 482.939 g/mol  logS: -6.36435  SlogP: 5.7148  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.195432  Sterimol/B1: 3.11204  Sterimol/B2: 3.83463  Sterimol/B3: 6.73554
  Sterimol/B4: 7.62718  Sterimol/L: 18.0916 
 
 Surface and Volume Properties
  Accessible surface: 703.056  Positive charged surface: 431.592  Negative charged surface: 271.464  Volume: 429.125
  Hydrophobic surface: 644.137  Hydrophilic surface: 58.919
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.