MMsINC Database Search


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MMsINC code: MMs00611100

Type: Neutral
Formula: C₁₂H₁₀FNOS

SMILES:

s1cccc1CNC(=O)c1cc(F)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.7737 kcal/mol

Physical Properties
Molecular Weight: 235.282 g/mol	logS: -3.40056	SlogP: 3.0836	Reactive groups: 0

Topological Properties
Globularity: 0.0426269	Sterimol/B1: 3.29789	Sterimol/B2: 3.90789	Sterimol/B3: 3.91737
Sterimol/B4: 4.85394	Sterimol/L: 13.9308

Surface and Volume Properties
Accessible surface: 441.86	Positive charged surface: 201.593	Negative charged surface: 240.267	Volume: 212.5
Hydrophobic surface: 395.331	Hydrophilic surface: 46.529

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.