MMsINC Database Search


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MMsINC code: MMs02089054

Type: Neutral
Formula: C₂₀H₁₆FNO₃S

SMILES:

s1c(cc(NC(=O)Cc2ccc(F)cc2)c1C(OC)=O)-c1ccccc1

InChI:

InChI=1/C20H16FNO3S/c1-25-20(24)19-16(12-17(26-19)14-5-3-2-4-6-14)22-18(23)11-13-7-9-15(21)10-8-13/h2-10,12H,11H2,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.1405 kcal/mol

Physical Properties
Molecular Weight: 369.416 g/mol	logS: -6.2949	SlogP: 4.52197	Reactive groups: 0

Topological Properties
Globularity: 0.049923	Sterimol/B1: 1.969	Sterimol/B2: 3.66071	Sterimol/B3: 3.69543
Sterimol/B4: 12.489	Sterimol/L: 15.4615

Surface and Volume Properties
Accessible surface: 625.271	Positive charged surface: 347.743	Negative charged surface: 277.528	Volume: 333.625
Hydrophobic surface: 564.132	Hydrophilic surface: 61.139

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.