MMsINC Database Search


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MMsINC code: MMs00862913

Type: Neutral
Formula: C₁₈H₁₅FN₂O₄S

SMILES:

S(=O)(=O)(Nc1ccccc1C(=O)NCc1occc1)c1ccc(F)cc1

InChI:

InChI=1/C18H15FN2O4S/c19-13-7-9-15(10-8-13)26(23,24)21-17-6-2-1-5-16(17)18(22)20-12-14-4-3-11-25-14/h1-11,21H,12H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.0618 kcal/mol

Physical Properties
Molecular Weight: 374.392 g/mol	logS: -5.0073	SlogP: 3.4159	Reactive groups: 0

Topological Properties
Globularity: 0.150456	Sterimol/B1: 2.383	Sterimol/B2: 2.94007	Sterimol/B3: 6.23992
Sterimol/B4: 8.49389	Sterimol/L: 15.3347

Surface and Volume Properties
Accessible surface: 592.27	Positive charged surface: 283.23	Negative charged surface: 309.041	Volume: 319.375
Hydrophobic surface: 472.846	Hydrophilic surface: 119.424

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.