MMsINC Database Search


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MMsINC code: MMs02947884

Type: Neutral
Formula: C₁₆H₁₇F₂N₃O₃S

SMILES:

S(=O)(=O)(N(CC(=O)Nc1cc(F)c(F)cc1)c1ccccc1)N(C)C

InChI:

InChI=1/C16H17F2N3O3S/c1-20(2)25(23,24)21(13-6-4-3-5-7-13)11-16(22)19-12-8-9-14(17)15(18)10-12/h3-10H,11H2,1-2H3,(H,19,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.1384 kcal/mol

Physical Properties
Molecular Weight: 369.392 g/mol	logS: -3.6577	SlogP: 2.2163	Reactive groups: 0

Topological Properties
Globularity: 0.094455	Sterimol/B1: 3.60435	Sterimol/B2: 4.17859	Sterimol/B3: 4.26149
Sterimol/B4: 7.62828	Sterimol/L: 15.4967

Surface and Volume Properties
Accessible surface: 573.701	Positive charged surface: 340.967	Negative charged surface: 232.734	Volume: 317.125
Hydrophobic surface: 495.692	Hydrophilic surface: 78.009

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.