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CHEMBRIDGE-ZINC03066051

 MMsINC code: MMs00752088
Type: Neutral
Formula: C27H32F2N2O2
SMILES:   Fc1cc(ccc1)C(=O)NC1CCC(CC1)CC1CCC(NC(=O)c2cc(F)ccc2)CC1
InChI:   InChI=1/C27H32F2N2O2/c28-22-5-1-3-20(16-22)26(32)30-24-11-7-18(8-12-24)15-19-9-13-25(14-10-19)31-27(33)21-4-2-6-23(29)17-21/h1-6,16-19,24-25H,7-15H2,(H,30,32)(H,31,33)/t18-,19-,24-,25+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.6453 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 454.561 g/mol  logS: -7.26806  SlogP: 5.6323  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0667248  Sterimol/B1: 2.72193  Sterimol/B2: 3.96396  Sterimol/B3: 4.94335
  Sterimol/B4: 7.97459  Sterimol/L: 22.2412 
 
 Surface and Volume Properties
  Accessible surface: 749.093  Positive charged surface: 453.253  Negative charged surface: 295.84  Volume: 440.75
  Hydrophobic surface: 684.977  Hydrophilic surface: 64.116
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.