MMsINC Database Search


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MMsINC code: MMs02136062

Type: Neutral
Formula: C₁₄H₁₀FNO₂S₂

SMILES:

s1c(C(OC)=O)c(-c2ccc(F)cc2)c(C#N)c1SC

InChI:

InChI=1/C14H10FNO2S2/c1-18-13(17)12-11(8-3-5-9(15)6-4-8)10(7-16)14(19-2)20-12/h3-6H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.926 kcal/mol

Physical Properties
Molecular Weight: 307.369 g/mol	logS: -5.97823	SlogP: 3.93438	Reactive groups: 0

Topological Properties
Globularity: 0.086318	Sterimol/B1: 2.3602	Sterimol/B2: 3.01874	Sterimol/B3: 3.70932
Sterimol/B4: 10.2709	Sterimol/L: 14.4595

Surface and Volume Properties
Accessible surface: 504.134	Positive charged surface: 264.914	Negative charged surface: 239.22	Volume: 262.75
Hydrophobic surface: 382.216	Hydrophilic surface: 121.918

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.