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IBS-ZINC06662388

MMsINC code: MMs01962745

Type: Neutral
Formula: C17H12FNO3
SMILES:   Fc1ccc(cc1)C(=O)CCN1c2c(cccc2)C(=O)C1=O
InChI:   InChI=1/C17H12FNO3/c18-12-7-5-11(6-8-12)15(20)9-10-19-14-4-2-1-3-13(14)16(21)17(19)22/h1-8H,9-10H2

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=73.293 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.285 g/mol  logS: -4.21088  SlogP: 2.628  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103171  Sterimol/B1: 2.79182  Sterimol/B2: 3.94637  Sterimol/B3: 4.037
  Sterimol/B4: 6.73419  Sterimol/L: 15.2327 
 
 Surface and Volume Properties
  Accessible surface: 516.246  Positive charged surface: 250.673  Negative charged surface: 265.573  Volume: 267.375
  Hydrophobic surface: 392.641  Hydrophilic surface: 123.605
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.