MMsINC Database Search


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MMsINC code: MMs02103752

Type: Neutral
Formula: C₁₄H₁₁FO₃S

SMILES:

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

InChI:

InChI=1/C14H11FO3S/c15-12-8-6-11(7-9-12)14(16)10-19(17,18)13-4-2-1-3-5-13/h1-9H,10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.6722 kcal/mol

Physical Properties
Molecular Weight: 278.303 g/mol	logS: -3.9198	SlogP: 2.4823	Reactive groups: 0

Topological Properties
Globularity: 0.0705501	Sterimol/B1: 3.33778	Sterimol/B2: 3.61712	Sterimol/B3: 3.61931
Sterimol/B4: 5.05177	Sterimol/L: 15.0963

Surface and Volume Properties
Accessible surface: 476.311	Positive charged surface: 213.202	Negative charged surface: 263.109	Volume: 240.625
Hydrophobic surface: 393.742	Hydrophilic surface: 82.569

Pharmacophoric Properties
Hydrogen bond donors: 0	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.