MMsINC Database Search


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MMsINC code: MMs01666992

Type: Neutral
Formula: C₁₃H₁₀Cl₂FNO₂S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)cc1C

InChI:

InChI=1/C13H10Cl2FNO2S/c1-8-6-10(16)3-5-12(8)17-20(18,19)13-7-9(14)2-4-11(13)15/h2-7,17H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.3163 kcal/mol

Physical Properties
Molecular Weight: 334.198 g/mol	logS: -4.97075	SlogP: 4.24172	Reactive groups: 0

Topological Properties
Globularity: 0.130053	Sterimol/B1: 3.54053	Sterimol/B2: 3.61386	Sterimol/B3: 4.36839
Sterimol/B4: 6.31899	Sterimol/L: 12.416

Surface and Volume Properties
Accessible surface: 484.656	Positive charged surface: 169.12	Negative charged surface: 315.536	Volume: 261.625
Hydrophobic surface: 417.527	Hydrophilic surface: 67.129

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.