MMsINC Database Search


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MMsINC code: MMs01590780

Type: Neutral
Formula: C₁₄H₉FOS₂

SMILES:

S1C\C(=C/c2ccsc2)\C(=O)c2cc(F)ccc12

InChI:

InChI=1/C14H9FOS2/c15-11-1-2-13-12(6-11)14(16)10(8-18-13)5-9-3-4-17-7-9/h1-7H,8H2/b10-5-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.1684 kcal/mol

Physical Properties
Molecular Weight: 276.355 g/mol	logS: -5.09207	SlogP: 4.2592	Reactive groups: 1

Topological Properties
Globularity: 0.0545217	Sterimol/B1: 2.99654	Sterimol/B2: 3.24298	Sterimol/B3: 3.82
Sterimol/B4: 5.54463	Sterimol/L: 13.4841

Surface and Volume Properties
Accessible surface: 450.739	Positive charged surface: 197.044	Negative charged surface: 253.695	Volume: 235.875
Hydrophobic surface: 388.914	Hydrophilic surface: 61.825

Pharmacophoric Properties
Hydrogen bond donors: 0	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.