MMsINC Database Search


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MMsINC code: MMs01589576

Type: Neutral
Formula: C₁₆H₁₄F₄N₂O₃S

SMILES:

S(=O)(=O)(N(CC(=O)Nc1cc(F)ccc1)C)c1ccccc1C(F)(F)F

InChI:

InChI=1/C16H14F4N2O3S/c1-22(10-15(23)21-12-6-4-5-11(17)9-12)26(24,25)14-8-3-2-7-13(14)16(18,19)20/h2-9H,10H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.0948 kcal/mol

Physical Properties
Molecular Weight: 390.357 g/mol	logS: -4.6464	SlogP: 3.4152	Reactive groups: 0

Topological Properties
Globularity: 0.0831375	Sterimol/B1: 2.01021	Sterimol/B2: 3.89518	Sterimol/B3: 4.96243
Sterimol/B4: 5.76771	Sterimol/L: 16.6036

Surface and Volume Properties
Accessible surface: 564.08	Positive charged surface: 268.47	Negative charged surface: 295.611	Volume: 308.875
Hydrophobic surface: 410.031	Hydrophilic surface: 154.049

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.