MMsINC Database Search


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MMsINC code: MMs02159276

Type: Neutral
Formula: C₁₆H₁₀F₇NOS

SMILES:

S(CC(=O)Nc1ccccc1F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI:

InChI=1/C16H10F7NOS/c17-12-3-1-2-4-13(12)24-14(25)8-26-11-6-9(15(18,19)20)5-10(7-11)16(21,22)23/h1-7H,8H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.673 kcal/mol

Physical Properties
Molecular Weight: 397.314 g/mol	logS: -6.81079	SlogP: 6.2171	Reactive groups: 0

Topological Properties
Globularity: 0.0150152	Sterimol/B1: 2.097	Sterimol/B2: 3.28147	Sterimol/B3: 3.30499
Sterimol/B4: 6.21851	Sterimol/L: 17.4846

Surface and Volume Properties
Accessible surface: 574.796	Positive charged surface: 188.709	Negative charged surface: 386.087	Volume: 293.25
Hydrophobic surface: 294.129	Hydrophilic surface: 280.667

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.