MMsINC Database Search


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MMsINC code: MMs00655035

Type: Neutral
Formula: C₁₆H₁₂ClFN₂O₂S

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)NCc1sccc1

InChI:

InChI=1/C16H12ClFN2O2S/c1-9-13(16(21)19-8-10-4-3-7-23-10)15(20-22-9)14-11(17)5-2-6-12(14)18/h2-7H,8H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.6084 kcal/mol

Physical Properties
Molecular Weight: 350.801 g/mol	logS: -5.48977	SlogP: 4.70042	Reactive groups: 0

Topological Properties
Globularity: 0.17104	Sterimol/B1: 2.45177	Sterimol/B2: 4.14724	Sterimol/B3: 4.71315
Sterimol/B4: 9.44339	Sterimol/L: 13.0409

Surface and Volume Properties
Accessible surface: 566.213	Positive charged surface: 241.979	Negative charged surface: 324.235	Volume: 298.25
Hydrophobic surface: 512.25	Hydrophilic surface: 53.963

Pharmacophoric Properties
Hydrogen bond donors: 1	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.