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CHEMDIV-ZINC02724751

 MMsINC code: MMs00887087
Type: Neutral
Formula: C23H19FN2O3
SMILES:   Fc1cc2c(NC(=O)CN(C(=O)c3cc(OC)ccc3)C2c2ccccc2)cc1
InChI:   InChI=1/C23H19FN2O3/c1-29-18-9-5-8-16(12-18)23(28)26-14-21(27)25-20-11-10-17(24)13-19(20)22(26)15-6-3-2-4-7-15/h2-13,22H,14H2,1H3,(H,25,27)/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=162.337 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.414 g/mol  logS: -5.65711  SlogP: 4.1137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.256062  Sterimol/B1: 4.3911  Sterimol/B2: 5.24669  Sterimol/B3: 5.39628
  Sterimol/B4: 6.34162  Sterimol/L: 14.6686 
 
 Surface and Volume Properties
  Accessible surface: 598.982  Positive charged surface: 333.17  Negative charged surface: 265.812  Volume: 352.875
  Hydrophobic surface: 490.118  Hydrophilic surface: 108.864
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.