MMsINC Database Search


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MMsINC code: MMs02127574

Type: Neutral
Formula: C₁₅H₁₁FN₂OS

SMILES:

S(C)C1=Nc2c(cccc2)C(=O)N1c1ccc(F)cc1

InChI:

InChI=1/C15H11FN2OS/c1-20-15-17-13-5-3-2-4-12(13)14(19)18(15)11-8-6-10(16)7-9-11/h2-9H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.941 kcal/mol

Physical Properties
Molecular Weight: 286.33 g/mol	logS: -5.25214	SlogP: 3.8366	Reactive groups: 0

Topological Properties
Globularity: 0.0862451	Sterimol/B1: 2.4291	Sterimol/B2: 3.61991	Sterimol/B3: 3.62619
Sterimol/B4: 8.37491	Sterimol/L: 14.4869

Surface and Volume Properties
Accessible surface: 485.77	Positive charged surface: 250.094	Negative charged surface: 235.676	Volume: 255.25
Hydrophobic surface: 422.828	Hydrophilic surface: 62.942

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.