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MMsINC code: MMs03784437

Type: Ionized
Formula: C₁₈H₁₁FNO₄S-

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)/p-1/b15-9-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.9272 kcal/mol

Physical Properties
Molecular Weight: 356.353 g/mol	logS: -5.2774	SlogP: 2.6921	Reactive groups: 0

Topological Properties
Globularity: 0.060198	Sterimol/B1: 2.72483	Sterimol/B2: 3.61038	Sterimol/B3: 3.95787
Sterimol/B4: 6.07719	Sterimol/L: 17.2041

Surface and Volume Properties
Accessible surface: 569.334	Positive charged surface: 254.529	Negative charged surface: 314.805	Volume: 304.5
Hydrophobic surface: 367.427	Hydrophilic surface: 201.907

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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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Parent related molecule:

MMs03784436
PUBCHEM-ZINC06528683