MMsINC Database Search


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MMsINC code: MMs02779027

Type: Neutral
Formula: C₁₈H₁₉FN₂O₅S

SMILES:

S(=O)(=O)(N(CC(=O)Nc1cc(ccc1C)C(OC)=O)c1ccc(F)cc1)C

InChI:

InChI=1/C18H19FN2O5S/c1-12-4-5-13(18(23)26-2)10-16(12)20-17(22)11-21(27(3,24)25)15-8-6-14(19)7-9-15/h4-10H,11H2,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.622 kcal/mol

Physical Properties
Molecular Weight: 394.423 g/mol	logS: -4.13205	SlogP: 2.32542	Reactive groups: 0

Topological Properties
Globularity: 0.162994	Sterimol/B1: 2.08343	Sterimol/B2: 5.1031	Sterimol/B3: 5.28873
Sterimol/B4: 9.17228	Sterimol/L: 15.0411

Surface and Volume Properties
Accessible surface: 619.981	Positive charged surface: 352.721	Negative charged surface: 267.26	Volume: 340
Hydrophobic surface: 493.49	Hydrophilic surface: 126.491

Pharmacophoric Properties
Hydrogen bond donors: 1	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.