MMsINC Database Search


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MMsINC code: MMs02753038

Type: Neutral
Formula: C₂₀H₁₆FNO₄S

SMILES:

s1cc(-c2ccc(F)cc2)c(C(OC)=O)c1NC(=O)c1cc(OC)ccc1

InChI:

InChI=1/C20H16FNO4S/c1-25-15-5-3-4-13(10-15)18(23)22-19-17(20(24)26-2)16(11-27-19)12-6-8-14(21)9-7-12/h3-11H,1-2H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.773 kcal/mol

Physical Properties
Molecular Weight: 385.415 g/mol	logS: -6.47335	SlogP: 4.6017	Reactive groups: 0

Topological Properties
Globularity: 0.0180407	Sterimol/B1: 2.78124	Sterimol/B2: 3.34155	Sterimol/B3: 4.32171
Sterimol/B4: 5.98312	Sterimol/L: 19.9621

Surface and Volume Properties
Accessible surface: 627.838	Positive charged surface: 354.891	Negative charged surface: 272.947	Volume: 342.125
Hydrophobic surface: 553.384	Hydrophilic surface: 74.454

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.