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PUBCHEM-ZINC00824856

 MMsINC code: MMs02738930
Type: Neutral
Formula: C27H33FN2O3
SMILES:   Fc1ccccc1C(=O)N(NC(=O)C(O)(C1CCCCC1)C1CCCCC1)c1ccccc1
InChI:   InChI=1/C27H33FN2O3/c28-24-19-11-10-18-23(24)25(31)30(22-16-8-3-9-17-22)29-26(32)27(33,20-12-4-1-5-13-20)21-14-6-2-7-15-21/h3,8-11,16-21,33H,1-2,4-7,12-15H2,(H,29,32)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=189.794 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 452.57 g/mol  logS: -7.97455  SlogP: 5.3954  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.203275  Sterimol/B1: 3.22562  Sterimol/B2: 5.26476  Sterimol/B3: 6.89747
  Sterimol/B4: 7.43821  Sterimol/L: 15.1229 
 
 Surface and Volume Properties
  Accessible surface: 664.952  Positive charged surface: 426.312  Negative charged surface: 238.64  Volume: 439.625
  Hydrophobic surface: 615.324  Hydrophilic surface: 49.628
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.