MMsINC Database Search


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MMsINC code: MMs02110912

Type: Neutral
Formula: C₁₅H₁₀F₅NOS

SMILES:

S(CC(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccc(cc1)C

InChI:

InChI=1/C15H10F5NOS/c1-7-2-4-8(5-3-7)23-6-9(22)21-15-13(19)11(17)10(16)12(18)14(15)20/h2-5H,6H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.2463 kcal/mol

Physical Properties
Molecular Weight: 347.307 g/mol	logS: -6.35153	SlogP: 4.42132	Reactive groups: 0

Topological Properties
Globularity: 0.0442285	Sterimol/B1: 2.90665	Sterimol/B2: 3.88713	Sterimol/B3: 4.00495
Sterimol/B4: 4.86379	Sterimol/L: 18.0571

Surface and Volume Properties
Accessible surface: 538.118	Positive charged surface: 233.68	Negative charged surface: 304.438	Volume: 270.125
Hydrophobic surface: 459.834	Hydrophilic surface: 78.284

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.