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MMsINC code: MMs02961494

Type: Neutral
Formula: C₁₉H₁₃FN₂O₄S₂

SMILES:

S1\C(=C\c2ccccc2F)\C(=O)N(CC(=O)Nc2ccccc2C(O)=O)C1=S

InChI:

InChI=1/C19H13FN2O4S2/c20-13-7-3-1-5-11(13)9-15-17(24)22(19(27)28-15)10-16(23)21-14-8-4-2-6-12(14)18(25)26/h1-9H,10H2,(H,21,23)(H,25,26)/b15-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.0986 kcal/mol

Physical Properties
Molecular Weight: 416.453 g/mol	logS: -6.49876	SlogP: 3.3638	Reactive groups: 0

Topological Properties
Globularity: 0.101098	Sterimol/B1: 2.52393	Sterimol/B2: 4.34777	Sterimol/B3: 6.52507
Sterimol/B4: 6.69855	Sterimol/L: 16.1165

Surface and Volume Properties
Accessible surface: 627.039	Positive charged surface: 292.954	Negative charged surface: 334.085	Volume: 347
Hydrophobic surface: 385.11	Hydrophilic surface: 241.929

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs02961495
PUBCHEM-ZINC02930407