MMsINC Database Search


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MMsINC code: MMs01238365

Type: Neutral
Formula: C₁₆H₁₄F₄N₂O₃S

SMILES:

S(=O)(=O)(N(CC(=O)Nc1ccc(cc1)C(F)(F)F)c1ccc(F)cc1)C

InChI:

InChI=1/C16H14F4N2O3S/c1-26(24,25)22(14-8-4-12(17)5-9-14)10-15(23)21-13-6-2-11(3-7-13)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)=90.6763 kcal/mol

Physical Properties
Molecular Weight: 390.357 g/mol	logS: -4.6464	SlogP: 3.5607	Reactive groups: 0

Topological Properties
Globularity: 0.08811	Sterimol/B1: 2.23577	Sterimol/B2: 3.4471	Sterimol/B3: 4.51992
Sterimol/B4: 8.52149	Sterimol/L: 15.0586

Surface and Volume Properties
Accessible surface: 579.665	Positive charged surface: 250.096	Negative charged surface: 329.569	Volume: 308.75
Hydrophobic surface: 389.906	Hydrophilic surface: 189.759

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.