MMsINC Database Search


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MMsINC code: MMs01503785

Type: Neutral
Formula: C₁₅H₁₄FNO₃S

SMILES:

S(=O)(=O)(C)c1cc(ccc1)C(=O)NCc1ccc(F)cc1

InChI:

InChI=1/C15H14FNO3S/c1-21(19,20)14-4-2-3-12(9-14)15(18)17-10-11-5-7-13(16)8-6-11/h2-9H,10H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.8168 kcal/mol

Physical Properties
Molecular Weight: 307.345 g/mol	logS: -3.73458	SlogP: 2.4256	Reactive groups: 0

Topological Properties
Globularity: 0.063609	Sterimol/B1: 2.84466	Sterimol/B2: 3.24596	Sterimol/B3: 4.67871
Sterimol/B4: 5.38068	Sterimol/L: 16.8817

Surface and Volume Properties
Accessible surface: 531.407	Positive charged surface: 259.023	Negative charged surface: 272.384	Volume: 269.5
Hydrophobic surface: 416.225	Hydrophilic surface: 115.182

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.