MMsINC Database Search


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MMsINC code: MMs01998267

Type: Neutral
Formula: C₁₃H₁₃FN₂O₃S

SMILES:

S1CC(=O)N(CC(=O)NCc2ccc(F)cc2)C(=O)C1

InChI:

InChI=1/C13H13FN2O3S/c14-10-3-1-9(2-4-10)5-15-11(17)6-16-12(18)7-20-8-13(16)19/h1-4H,5-8H2,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.0435 kcal/mol

Physical Properties
Molecular Weight: 296.322 g/mol	logS: -3.4206	SlogP: 0.8103	Reactive groups: 0

Topological Properties
Globularity: 0.0446742	Sterimol/B1: 2.7226	Sterimol/B2: 3.15727	Sterimol/B3: 3.38701
Sterimol/B4: 5.11996	Sterimol/L: 15.9579

Surface and Volume Properties
Accessible surface: 501.007	Positive charged surface: 285.632	Negative charged surface: 215.375	Volume: 253
Hydrophobic surface: 344.551	Hydrophilic surface: 156.456

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.