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MMsINC code: MMs00717731

Type: Neutral
Formula: C₁₉H₁₄FNO₅S

SMILES:

S1\C(=C\c2ccc(OCC(O)=O)cc2)\C(=O)N(Cc2ccc(F)cc2)C1=O

InChI:

InChI=1/C19H14FNO5S/c20-14-5-1-13(2-6-14)10-21-18(24)16(27-19(21)25)9-12-3-7-15(8-4-12)26-11-17(22)23/h1-9H,10-11H2,(H,22,23)/b16-9-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.6569 kcal/mol

Physical Properties
Molecular Weight: 387.387 g/mol	logS: -5.09377	SlogP: 3.792	Reactive groups: 0

Topological Properties
Globularity: 0.0489973	Sterimol/B1: 3.03542	Sterimol/B2: 3.98791	Sterimol/B3: 4.19888
Sterimol/B4: 6.28216	Sterimol/L: 19.3576

Surface and Volume Properties
Accessible surface: 614.962	Positive charged surface: 307.607	Negative charged surface: 307.354	Volume: 327.125
Hydrophobic surface: 400.481	Hydrophilic surface: 214.481

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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

MMs00717732
CHEMBRIDGE-ZINC02814221