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CHEMDIV-ZINC06725083

 MMsINC code: MMs01002175
Type: Neutral
Formula: C22H18FN3O3
SMILES:   Fc1ccc(cc1)CNC(=O)C1(O)N(c2ccccc2)C(=O)Nc2c1cccc2
InChI:   InChI=1/C22H18FN3O3/c23-16-12-10-15(11-13-16)14-24-20(27)22(29)18-8-4-5-9-19(18)25-21(28)26(22)17-6-2-1-3-7-17/h1-13,29H,14H2,(H,24,27)(H,25,28)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.8384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.402 g/mol  logS: -5.35733  SlogP: 3.9172  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.220443  Sterimol/B1: 2.48709  Sterimol/B2: 4.20779  Sterimol/B3: 4.58205
  Sterimol/B4: 11.1023  Sterimol/L: 14.4677 
 
 Surface and Volume Properties
  Accessible surface: 607.899  Positive charged surface: 318.125  Negative charged surface: 289.774  Volume: 355
  Hydrophobic surface: 492.239  Hydrophilic surface: 115.66
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.