MMsINC Database Search


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MMsINC code: MMs03309763

Type: Neutral
Formula: C₉H₉FN₂O₂S

SMILES:

S(CC(=O)Nc1ccc(F)cc1)C(=O)N

InChI:

InChI=1/C9H9FN2O2S/c10-6-1-3-7(4-2-6)12-8(13)5-15-9(11)14/h1-4H,5H2,(H2,11,14)(H,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.7195 kcal/mol

Physical Properties
Molecular Weight: 228.247 g/mol	logS: -3.20835	SlogP: 1.5761	Reactive groups: 0

Topological Properties
Globularity: 0.0149088	Sterimol/B1: 2.37299	Sterimol/B2: 2.93302	Sterimol/B3: 2.99775
Sterimol/B4: 4.7532	Sterimol/L: 15.1165

Surface and Volume Properties
Accessible surface: 423.54	Positive charged surface: 229.673	Negative charged surface: 193.867	Volume: 189.5
Hydrophobic surface: 232.381	Hydrophilic surface: 191.159

Pharmacophoric Properties
Hydrogen bond donors: 2	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.