MMsINC Database Search


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MMsINC code: MMs03549865

Type: Neutral
Formula: C₁₆H₁₅F₃N₂O₃S

SMILES:

S(=O)(=O)(N(Cc1ccccc1)C)c1ccc(NC(=O)C(F)(F)F)cc1

InChI:

InChI=1/C16H15F3N2O3S/c1-21(11-12-5-3-2-4-6-12)25(23,24)14-9-7-13(8-10-14)20-15(22)16(17,18)19/h2-10H,11H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.0583 kcal/mol

Physical Properties
Molecular Weight: 372.367 g/mol	logS: -4.35142	SlogP: 3.6944	Reactive groups: 0

Topological Properties
Globularity: 0.0510915	Sterimol/B1: 2.01023	Sterimol/B2: 3.27549	Sterimol/B3: 4.3312
Sterimol/B4: 6.41374	Sterimol/L: 18.0214

Surface and Volume Properties
Accessible surface: 565.934	Positive charged surface: 266.717	Negative charged surface: 299.217	Volume: 307.5
Hydrophobic surface: 356.068	Hydrophilic surface: 209.866

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.