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CHEMDIV-ZINC03660273

MMsINC code: MMs00915651

Type: Ionized
Formula: C18H14FN2O3-
SMILES:   Fc1ccccc1NC(=O)Cc1c2c(n(C)c1C(=O)[O-])cccc2
InChI:   InChI=1/C18H15FN2O3/c1-21-15-9-5-2-6-11(15)12(17(21)18(23)24)10-16(22)20-14-8-4-3-7-13(14)19/h2-9H,10H2,1H3,(H,20,22)(H,23,24)/p-1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=37.9513 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.319 g/mol  logS: -4.278  SlogP: 2.22127  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101872  Sterimol/B1: 2.52643  Sterimol/B2: 2.62194  Sterimol/B3: 4.90218
  Sterimol/B4: 7.64969  Sterimol/L: 15.1299 
 
 Surface and Volume Properties
  Accessible surface: 527.709  Positive charged surface: 292.398  Negative charged surface: 230.431  Volume: 294.75
  Hydrophobic surface: 440.145  Hydrophilic surface: 87.564
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 0
 
 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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MMs00915650
CHEMDIV-ZINC03660273