MMsINC Database Search


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MMsINC code: MMs00338319

Type: Neutral
Formula: C₁₁H₉FN₂O₃S

SMILES:

S1CC(=O)N(CC(=O)Nc2ccccc2F)C1=O

InChI:

InChI=1/C11H9FN2O3S/c12-7-3-1-2-4-8(7)13-9(15)5-14-10(16)6-18-11(14)17/h1-4H,5-6H2,(H,13,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.4269 kcal/mol

Physical Properties
Molecular Weight: 268.268 g/mol	logS: -3.53252	SlogP: 1.4596	Reactive groups: 0

Topological Properties
Globularity: 0.078096	Sterimol/B1: 2.55523	Sterimol/B2: 3.64035	Sterimol/B3: 4.08803
Sterimol/B4: 5.58262	Sterimol/L: 13.7287

Surface and Volume Properties
Accessible surface: 449.367	Positive charged surface: 224.376	Negative charged surface: 224.991	Volume: 218.5
Hydrophobic surface: 278.45	Hydrophilic surface: 170.917

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.