MMsINC Database Search


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MMsINC code: MMs01523194

Type: Neutral
Formula: C₂₀H₁₆FNO₄S

SMILES:

S(=O)(=O)(N(C)c1ccccc1)c1ccc(cc1)C(Oc1cc(F)ccc1)=O

InChI:

InChI=1/C20H16FNO4S/c1-22(17-7-3-2-4-8-17)27(24,25)19-12-10-15(11-13-19)20(23)26-18-9-5-6-16(21)14-18/h2-14H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.8548 kcal/mol

Physical Properties
Molecular Weight: 385.415 g/mol	logS: -5.53134	SlogP: 3.87	Reactive groups: 0

Topological Properties
Globularity: 0.0655408	Sterimol/B1: 2.87714	Sterimol/B2: 2.88666	Sterimol/B3: 5.4548
Sterimol/B4: 6.86208	Sterimol/L: 19.0288

Surface and Volume Properties
Accessible surface: 619.099	Positive charged surface: 319.693	Negative charged surface: 299.406	Volume: 340.25
Hydrophobic surface: 532.464	Hydrophilic surface: 86.635

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.