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MMsINC code: MMs03784436

Type: Neutral
Formula: C₁₈H₁₂FNO₄S

SMILES:

S1\C(=C\c2cc(ccc2)C(O)=O)\C(=O)N(Cc2ccccc2F)C1=O

InChI:

InChI=1/C18H12FNO4S/c19-14-7-2-1-5-13(14)10-20-16(21)15(25-18(20)24)9-11-4-3-6-12(8-11)17(22)23/h1-9H,10H2,(H,22,23)/b15-9-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.0688 kcal/mol

Physical Properties
Molecular Weight: 357.361 g/mol	logS: -5.01695	SlogP: 4.0268	Reactive groups: 0

Topological Properties
Globularity: 0.0654384	Sterimol/B1: 3.25423	Sterimol/B2: 3.37269	Sterimol/B3: 4.47185
Sterimol/B4: 5.85026	Sterimol/L: 15.953

Surface and Volume Properties
Accessible surface: 560.929	Positive charged surface: 283.657	Negative charged surface: 277.272	Volume: 303.375
Hydrophobic surface: 364.704	Hydrophilic surface: 196.225

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

MMs03784437
PUBCHEM-ZINC06528683