MMsINC Database Search


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MMsINC code: MMs02137478

Type: Neutral
Formula: C₁₅H₁₂F₃NO₃S

SMILES:

S(=O)(=O)(CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(cc1)C

InChI:

InChI=1/C15H12F3NO3S/c1-9-2-4-10(5-3-9)23(21,22)8-13(20)19-12-7-6-11(16)14(17)15(12)18/h2-7H,8H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.5672 kcal/mol

Physical Properties
Molecular Weight: 343.325 g/mol	logS: -4.88086	SlogP: 2.82472	Reactive groups: 0

Topological Properties
Globularity: 0.0390209	Sterimol/B1: 2.78862	Sterimol/B2: 3.54621	Sterimol/B3: 4.36226
Sterimol/B4: 4.72974	Sterimol/L: 18.1145

Surface and Volume Properties
Accessible surface: 543.139	Positive charged surface: 253.836	Negative charged surface: 289.303	Volume: 275.125
Hydrophobic surface: 451.198	Hydrophilic surface: 91.941

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.