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MMsINC code: MMs00801083

Type: Ionized
Formula: C₁₅H₁₀FN₂O₃S-

SMILES:

S=C(Nc1ccccc1C(=O)[O-])NC(=O)c1ccc(F)cc1

InChI:

InChI=1/C15H11FN2O3S/c16-10-7-5-9(6-8-10)13(19)18-15(22)17-12-4-2-1-3-11(12)14(20)21/h1-8H,(H,20,21)(H2,17,18,19,22)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.5066 kcal/mol

Physical Properties
Molecular Weight: 317.32 g/mol	logS: -5.34319	SlogP: 1.316	Reactive groups: 0

Topological Properties
Globularity: 0.0111297	Sterimol/B1: 2.51424	Sterimol/B2: 2.96126	Sterimol/B3: 4.96327
Sterimol/B4: 5.64797	Sterimol/L: 16.1405

Surface and Volume Properties
Accessible surface: 510.892	Positive charged surface: 213.245	Negative charged surface: 297.647	Volume: 272.375
Hydrophobic surface: 335.398	Hydrophilic surface: 175.494

Pharmacophoric Properties
Hydrogen bond donors: 2	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:

MMs00801082
CHEMBRIDGE-ZINC04844726