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MMsINC code: MMs01074448

Type: Neutral
Formula: C₁₄H₁₃FN₂O₃S

SMILES:

S(=O)(=O)(N)c1ccc(cc1)CNC(=O)c1ccccc1F

InChI:

InChI=1/C14H13FN2O3S/c15-13-4-2-1-3-12(13)14(18)17-9-10-5-7-11(8-6-10)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.7991 kcal/mol

Physical Properties
Molecular Weight: 308.333 g/mol	logS: -3.8205	SlogP: 1.6695	Reactive groups: 0

Topological Properties
Globularity: 0.0501047	Sterimol/B1: 2.54739	Sterimol/B2: 3.61743	Sterimol/B3: 3.61824
Sterimol/B4: 6.16294	Sterimol/L: 17.0505

Surface and Volume Properties
Accessible surface: 526.161	Positive charged surface: 263.72	Negative charged surface: 262.441	Volume: 263
Hydrophobic surface: 352.69	Hydrophilic surface: 173.471

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs01074449
CHEMSTAR-ZINC00288076