MMsINC Database Search


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MMsINC code: MMs01478613

Type: Neutral
Formula: C₁₅H₁₅FN₂O₅S₂

SMILES:

S(=O)(=O)(N(S(=O)(=O)c1ccc(F)cc1)C)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C15H15FN2O5S2/c1-11(19)17-13-5-9-15(10-6-13)25(22,23)18(2)24(20,21)14-7-3-12(16)4-8-14/h3-10H,1-2H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.6622 kcal/mol

Physical Properties
Molecular Weight: 386.424 g/mol	logS: -3.66825	SlogP: 1.7935	Reactive groups: 0

Topological Properties
Globularity: 0.0491662	Sterimol/B1: 3.63794	Sterimol/B2: 3.88031	Sterimol/B3: 4.29672
Sterimol/B4: 4.98238	Sterimol/L: 18.5223

Surface and Volume Properties
Accessible surface: 568.964	Positive charged surface: 291.275	Negative charged surface: 277.689	Volume: 310.875
Hydrophobic surface: 429.823	Hydrophilic surface: 139.141

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.