MMsINC Database Search


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MMsINC code: MMs00651914

Type: Neutral
Formula: C₁₅H₁₀FNO₂S₂

SMILES:

S1\C(=C/c2sccc2)\C(=O)N(Cc2ccc(F)cc2)C1=O

InChI:

InChI=1/C15H10FNO2S2/c16-11-5-3-10(4-6-11)9-17-14(18)13(21-15(17)19)8-12-2-1-7-20-12/h1-8H,9H2/b13-8-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.4017 kcal/mol

Physical Properties
Molecular Weight: 319.38 g/mol	logS: -4.85422	SlogP: 4.3901	Reactive groups: 0

Topological Properties
Globularity: 0.0932354	Sterimol/B1: 3.1889	Sterimol/B2: 3.87993	Sterimol/B3: 4.60867
Sterimol/B4: 5.18039	Sterimol/L: 15.2789

Surface and Volume Properties
Accessible surface: 500.371	Positive charged surface: 217.524	Negative charged surface: 282.847	Volume: 268
Hydrophobic surface: 398.386	Hydrophilic surface: 101.985

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.