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PUBCHEM-ZINC02069833

MMsINC code: MMs02869206

Type: Neutral
Formula: C27H25F2N3O3
SMILES:   Fc1ccccc1C(=O)Nc1cc(cc(NC(=O)c2ccccc2F)c1)C(=O)NC1CCCCC1
InChI:   InChI=1/C27H25F2N3O3/c28-23-12-6-4-10-21(23)26(34)31-19-14-17(25(33)30-18-8-2-1-3-9-18)15-20(16-19)32-27(35)22-11-5-7-13-24(22)29/h4-7,10-16,18H,1-3,8-9H2,(H,30,33)(H,31,34)(H,32,35)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=116.078 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 477.511 g/mol  logS: -7.53209  SlogP: 5.5319  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0293998  Sterimol/B1: 2.44576  Sterimol/B2: 2.6129  Sterimol/B3: 4.0202
  Sterimol/B4: 14.4755  Sterimol/L: 19.7053 
 
 Surface and Volume Properties
  Accessible surface: 777.002  Positive charged surface: 462.437  Negative charged surface: 314.565  Volume: 437
  Hydrophobic surface: 683.506  Hydrophilic surface: 93.496
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.