MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02979873

Type: Neutral
Formula: C₁₉H₁₄FNO₅S

SMILES:

S(=O)(=O)(Nc1ccc(Oc2ccccc2)cc1)c1cc(ccc1F)C(O)=O

InChI:

InChI=1/C19H14FNO5S/c20-17-11-6-13(19(22)23)12-18(17)27(24,25)21-14-7-9-16(10-8-14)26-15-4-2-1-3-5-15/h1-12,21H,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.5224 kcal/mol

Physical Properties
Molecular Weight: 387.387 g/mol	logS: -5.09381	SlogP: 4.117	Reactive groups: 0

Topological Properties
Globularity: 0.0867738	Sterimol/B1: 4.05081	Sterimol/B2: 4.47527	Sterimol/B3: 5.34452
Sterimol/B4: 5.53189	Sterimol/L: 16.0999

Surface and Volume Properties
Accessible surface: 601.323	Positive charged surface: 300.289	Negative charged surface: 301.034	Volume: 327.5
Hydrophobic surface: 426.509	Hydrophilic surface: 174.814

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

search links for this molecule:

Ions/Tautomers related molecules

MMs02979874
PUBCHEM-ZINC03015050