MMsINC Database Search


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MMsINC code: MMs02700119

Type: Neutral
Formula: C₁₅H₁₆FNO₃S

SMILES:

S(=O)(=O)(NC(C)c1ccccc1)c1cc(OC)c(F)cc1

InChI:

InChI=1/C15H16FNO3S/c1-11(12-6-4-3-5-7-12)17-21(18,19)13-8-9-14(16)15(10-13)20-2/h3-11,17H,1-2H3/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.9413 kcal/mol

Physical Properties
Molecular Weight: 309.361 g/mol	logS: -3.66333	SlogP: 2.9693	Reactive groups: 0

Topological Properties
Globularity: 0.338775	Sterimol/B1: 2.22069	Sterimol/B2: 3.73477	Sterimol/B3: 6.37071
Sterimol/B4: 7.20509	Sterimol/L: 12.1331

Surface and Volume Properties
Accessible surface: 517.056	Positive charged surface: 280.086	Negative charged surface: 236.97	Volume: 275.625
Hydrophobic surface: 419.49	Hydrophilic surface: 97.566

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.