MMsINC Database Search


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MMsINC code: MMs02138618

Type: Neutral
Formula: C₁₀H₁₁FN₂O₂S

SMILES:

S(CC(=O)Nc1ccc(F)cc1)CC(=O)N

InChI:

InChI=1/C10H11FN2O2S/c11-7-1-3-8(4-2-7)13-10(15)6-16-5-9(12)14/h1-4H,5-6H2,(H2,12,14)(H,13,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.8465 kcal/mol

Physical Properties
Molecular Weight: 242.274 g/mol	logS: -3.15239	SlogP: 0.9827	Reactive groups: 0

Topological Properties
Globularity: 0.0149815	Sterimol/B1: 2.38702	Sterimol/B2: 2.90843	Sterimol/B3: 3.05284
Sterimol/B4: 4.71047	Sterimol/L: 16.2881

Surface and Volume Properties
Accessible surface: 454.824	Positive charged surface: 266.533	Negative charged surface: 188.291	Volume: 208.375
Hydrophobic surface: 271.523	Hydrophilic surface: 183.301

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