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ANALYTICONDISCOVERY-ZINC05415069

 MMsINC code: MMs00037138
Type: Neutral
Formula: C28H23FN2O2
SMILES:   Fc1ccc(cc1)C(=O)N1CC2C=3N(CC(C2)C1)C(=O)C=CC=3c1cc2c(cc1)ccc
c2
InChI:   InChI=1/C28H23FN2O2/c29-24-9-7-20(8-10-24)28(33)30-15-18-13-23(17-30)27-25(11-12-26(32)31(27)16-18)22-6-5-19-3-1-2-4-21(19)14-22/h1-12,14,18,23H,13,15-17H2/t18-,23+/m0/s1

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Potential Energy
Epot(MMFF94)=156.889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.502 g/mol  logS: -7.00024  SlogP: 4.8805  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.166327  Sterimol/B1: 2.98518  Sterimol/B2: 3.5837  Sterimol/B3: 6.44813
  Sterimol/B4: 6.92313  Sterimol/L: 17.9731 
 
 Surface and Volume Properties
  Accessible surface: 651.982  Positive charged surface: 372.095  Negative charged surface: 271.158  Volume: 410
  Hydrophobic surface: 597.365  Hydrophilic surface: 54.617
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.