MMsINC Database Search


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MMsINC code: MMs00180846

Type: Neutral
Formula: C₁₁H₁₁Cl₃FNO₃S

SMILES:

ClC(Cl)(Cl)C(S(=O)(=O)c1ccc(cc1)C)NC(=O)CF

InChI:

InChI=1/C11H11Cl3FNO3S/c1-7-2-4-8(5-3-7)20(18,19)10(11(12,13)14)16-9(17)6-15/h2-5,10H,6H2,1H3,(H,16,17)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.5148 kcal/mol

Physical Properties
Molecular Weight: 362.636 g/mol	logS: -4.78424	SlogP: 2.97062	Reactive groups: 1

Topological Properties
Globularity: 0.14648	Sterimol/B1: 3.28089	Sterimol/B2: 4.08091	Sterimol/B3: 4.9606
Sterimol/B4: 5.04418	Sterimol/L: 13.3491

Surface and Volume Properties
Accessible surface: 495.386	Positive charged surface: 178.329	Negative charged surface: 317.057	Volume: 271.625
Hydrophobic surface: 226.515	Hydrophilic surface: 268.871

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.