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MMsINC code: MMs01497449

Type: Neutral
Formula: C₁₉H₁₅FN₂O₃S

SMILES:

S1\C(=C/c2ccccc2)\C(=O)N(CCNC(=O)c2ccccc2F)C1=O

InChI:

InChI=1/C19H15FN2O3S/c20-15-9-5-4-8-14(15)17(23)21-10-11-22-18(24)16(26-19(22)25)12-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,21,23)/b16-12-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.8853 kcal/mol

Physical Properties
Molecular Weight: 370.404 g/mol	logS: -5.22012	SlogP: 3.292	Reactive groups: 0

Topological Properties
Globularity: 0.0299137	Sterimol/B1: 2.91015	Sterimol/B2: 3.85125	Sterimol/B3: 3.90286
Sterimol/B4: 4.34837	Sterimol/L: 20.8718

Surface and Volume Properties
Accessible surface: 613.944	Positive charged surface: 306.189	Negative charged surface: 307.755	Volume: 324.875
Hydrophobic surface: 469.403	Hydrophilic surface: 144.541

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.