MMsINC Database Search


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MMsINC code: MMs01313353

Type: Neutral
Formula: C₁₇H₁₅FN₂OS

SMILES:

S(CCC)C1=Nc2c(cccc2)C(=O)N1c1ccccc1F

InChI:

InChI=1/C17H15FN2OS/c1-2-11-22-17-19-14-9-5-3-7-12(14)16(21)20(17)15-10-6-4-8-13(15)18/h3-10H,2,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.56 kcal/mol

Physical Properties
Molecular Weight: 314.384 g/mol	logS: -5.78112	SlogP: 4.6168	Reactive groups: 0

Topological Properties
Globularity: 0.0990546	Sterimol/B1: 3.63237	Sterimol/B2: 3.86083	Sterimol/B3: 4.06318
Sterimol/B4: 9.65035	Sterimol/L: 13.9098

Surface and Volume Properties
Accessible surface: 547.53	Positive charged surface: 315.81	Negative charged surface: 231.719	Volume: 288.5
Hydrophobic surface: 469.3	Hydrophilic surface: 78.23

Pharmacophoric Properties
Hydrogen bond donors: 0	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.