MMsINC Database Search


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MMsINC code: MMs01427135

Type: Neutral
Formula: C₁₀H₁₀F₃NOS

SMILES:

S(C(C(=O)N)C)c1cc(ccc1)C(F)(F)F

InChI:

InChI=1/C10H10F3NOS/c1-6(9(14)15)16-8-4-2-3-7(5-8)10(11,12)13/h2-6H,1H3,(H2,14,15)/t6-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.7995 kcal/mol

Physical Properties
Molecular Weight: 249.256 g/mol	logS: -4.0686	SlogP: 2.9828	Reactive groups: 0

Topological Properties
Globularity: 0.0731547	Sterimol/B1: 2.29297	Sterimol/B2: 2.46591	Sterimol/B3: 4.14584
Sterimol/B4: 5.50004	Sterimol/L: 12.5631

Surface and Volume Properties
Accessible surface: 421.511	Positive charged surface: 177.992	Negative charged surface: 243.519	Volume: 200.75
Hydrophobic surface: 179.327	Hydrophilic surface: 242.184

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.