MMsINC Database Search


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MMsINC code: MMs00079877

Type: Neutral
Formula: C₁₀H₁₀FNOS

SMILES:

S1C(C)C(=O)NC1c1ccc(F)cc1

InChI:

InChI=1/C10H10FNOS/c1-6-9(13)12-10(14-6)7-2-4-8(11)5-3-7/h2-6,10H,1H3,(H,12,13)/t6-,10+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.1523 kcal/mol

Physical Properties
Molecular Weight: 211.26 g/mol	logS: -3.17465	SlogP: 2.1713	Reactive groups: 0

Topological Properties
Globularity: 0.110572	Sterimol/B1: 2.42699	Sterimol/B2: 3.50462	Sterimol/B3: 4.33943
Sterimol/B4: 4.54924	Sterimol/L: 12.3023

Surface and Volume Properties
Accessible surface: 390.367	Positive charged surface: 201.47	Negative charged surface: 188.897	Volume: 186.75
Hydrophobic surface: 271.875	Hydrophilic surface: 118.492

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.