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CHEMDIV-ZINC01080818

 MMsINC code: MMs00862389
Type: Neutral
Formula: C26H26FNO5
SMILES:   Fc1cc(ccc1)C1N(CCc2cc(OC)c(OC)cc2)C(=O)C1Oc1ccc(OC)cc1
InChI:   InChI=1/C26H26FNO5/c1-30-20-8-10-21(11-9-20)33-25-24(18-5-4-6-19(27)16-18)28(26(25)29)14-13-17-7-12-22(31-2)23(15-17)32-3/h4-12,15-16,24-25H,13-14H2,1-3H3/t24-,25-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=133.737 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 451.494 g/mol  logS: -5.69407  SlogP: 4.52057  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0662372  Sterimol/B1: 3.46831  Sterimol/B2: 3.47883  Sterimol/B3: 4.85207
  Sterimol/B4: 10.1735  Sterimol/L: 22.0982 
 
 Surface and Volume Properties
  Accessible surface: 783.461  Positive charged surface: 503.376  Negative charged surface: 265.666  Volume: 429.625
  Hydrophobic surface: 713.016  Hydrophilic surface: 70.445
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.