MMsINC Database Search


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MMsINC code: MMs01625149

Type: Neutral
Formula: C₁₂H₁₀FNOS

SMILES:

s1cc(cc1)CC(=O)Nc1ccccc1F

InChI:

InChI=1/C12H10FNOS/c13-10-3-1-2-4-11(10)14-12(15)7-9-5-6-16-8-9/h1-6,8H,7H2,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.6015 kcal/mol

Physical Properties
Molecular Weight: 235.282 g/mol	logS: -3.36507	SlogP: 3.06837	Reactive groups: 0

Topological Properties
Globularity: 0.0747643	Sterimol/B1: 2.55943	Sterimol/B2: 3.48549	Sterimol/B3: 3.59663
Sterimol/B4: 5.59834	Sterimol/L: 13.6336

Surface and Volume Properties
Accessible surface: 437.721	Positive charged surface: 214.338	Negative charged surface: 223.383	Volume: 210.75
Hydrophobic surface: 403.783	Hydrophilic surface: 33.938

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.