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MMsINC code: MMs01674352

Type: Neutral
Formula: C₁₇H₁₅FN₂O₄S

SMILES:

S1(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)C)C(=O)c2c1cccc2

InChI:

InChI=1/C17H15FN2O4S/c1-19(10-12-6-8-13(18)9-7-12)16(21)11-20-17(22)14-4-2-3-5-15(14)25(20,23)24/h2-9H,10-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.268 kcal/mol

Physical Properties
Molecular Weight: 362.381 g/mol	logS: -3.95593	SlogP: 1.8952	Reactive groups: 0

Topological Properties
Globularity: 0.066196	Sterimol/B1: 2.50715	Sterimol/B2: 2.52254	Sterimol/B3: 4.4526
Sterimol/B4: 7.61409	Sterimol/L: 16.2666

Surface and Volume Properties
Accessible surface: 569.281	Positive charged surface: 301.363	Negative charged surface: 267.918	Volume: 309.375
Hydrophobic surface: 444.506	Hydrophilic surface: 124.775

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.