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PUBCHEM-ZINC06656102

 MMsINC code: MMs03835825
Type: Neutral
Formula: C24H26F2N2O2
SMILES:   Fc1cc(ccc1F)Cn1c(CCCCC)c(-c2cc(O)ccc2)c(C(=O)N)c1C
InChI:   InChI=1/C24H26F2N2O2/c1-3-4-5-9-21-23(17-7-6-8-18(29)13-17)22(24(27)30)15(2)28(21)14-16-10-11-19(25)20(26)12-16/h6-8,10-13,29H,3-5,9,14H2,1-2H3,(H2,27,30)

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Potential Energy
Epot(MMFF94)=82.9029 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.48 g/mol  logS: -6.77073  SlogP: 5.59359  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.235215  Sterimol/B1: 2.36694  Sterimol/B2: 4.45898  Sterimol/B3: 5.18479
  Sterimol/B4: 10.5964  Sterimol/L: 14.5573 
 
 Surface and Volume Properties
  Accessible surface: 679.509  Positive charged surface: 401.561  Negative charged surface: 277.948  Volume: 396.5
  Hydrophobic surface: 499.869  Hydrophilic surface: 179.64
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.