MMsINC Database Search


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MMsINC code: MMs02026185

Type: Neutral
Formula: C₁₉H₁₄FNO₃S

SMILES:

s1c(cc(NC(=O)c2ccc(F)cc2)c1C(OC)=O)-c1ccccc1

InChI:

InChI=1/C19H14FNO3S/c1-24-19(23)17-15(11-16(25-17)12-5-3-2-4-6-12)21-18(22)13-7-9-14(20)10-8-13/h2-11H,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.1067 kcal/mol

Physical Properties
Molecular Weight: 355.389 g/mol	logS: -6.23343	SlogP: 4.5931	Reactive groups: 0

Topological Properties
Globularity: 0.00328384	Sterimol/B1: 2.349	Sterimol/B2: 2.39841	Sterimol/B3: 2.42681
Sterimol/B4: 11.0413	Sterimol/L: 16.9567

Surface and Volume Properties
Accessible surface: 591.449	Positive charged surface: 310.259	Negative charged surface: 281.19	Volume: 316.375
Hydrophobic surface: 529.786	Hydrophilic surface: 61.663

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.