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OTAVA-ZINC00956126

 MMsINC code: MMs02558177
Type: Neutral
Formula: C25H24F3NO5
SMILES:   FC(F)(F)C=1Oc2c(ccc(OCC(=O)N3CCCCC3)c2)C(=O)C=1Oc1cc(cc(c1)C
)C
InChI:   InChI=1/C25H24F3NO5/c1-15-10-16(2)12-18(11-15)33-23-22(31)19-7-6-17(13-20(19)34-24(23)25(26,27)28)32-14-21(30)29-8-4-3-5-9-29/h6-7,10-13H,3-5,8-9,14H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=125.023 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 475.463 g/mol  logS: -7.50127  SlogP: 5.54264  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0459024  Sterimol/B1: 2.17592  Sterimol/B2: 2.4702  Sterimol/B3: 6.34908
  Sterimol/B4: 7.6941  Sterimol/L: 22.2214 
 
 Surface and Volume Properties
  Accessible surface: 743.85  Positive charged surface: 434.875  Negative charged surface: 308.975  Volume: 417.25
  Hydrophobic surface: 579.56  Hydrophilic surface: 164.29
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.