MMsINC Database Search


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MMsINC code: MMs02525361

Type: Neutral
Formula: C₁₄H₁₄FNO₂S₂

SMILES:

S(CCNS(=O)(=O)c1ccc(F)cc1)c1ccccc1

InChI:

InChI=1/C14H14FNO2S2/c15-12-6-8-14(9-7-12)20(17,18)16-10-11-19-13-4-2-1-3-5-13/h1-9,16H,10-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.6027 kcal/mol

Physical Properties
Molecular Weight: 311.401 g/mol	logS: -4.33358	SlogP: 2.8963	Reactive groups: 0

Topological Properties
Globularity: 0.0576742	Sterimol/B1: 3.26343	Sterimol/B2: 4.2406	Sterimol/B3: 4.69273
Sterimol/B4: 4.87338	Sterimol/L: 16.3539

Surface and Volume Properties
Accessible surface: 535.02	Positive charged surface: 251.635	Negative charged surface: 283.386	Volume: 272.375
Hydrophobic surface: 417.14	Hydrophilic surface: 117.88

Pharmacophoric Properties
Hydrogen bond donors: 1	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.