MMsINC Database Search


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MMsINC code: MMs01589487

Type: Neutral
Formula: C₁₄H₁₂Cl₂FNO₂S

SMILES:

Clc1ccccc1CN(S(=O)(=O)c1cc(Cl)c(F)cc1)C

InChI:

InChI=1/C14H12Cl2FNO2S/c1-18(9-10-4-2-3-5-12(10)15)21(19,20)11-6-7-14(17)13(16)8-11/h2-8H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.663 kcal/mol

Physical Properties
Molecular Weight: 348.225 g/mol	logS: -4.8299	SlogP: 4.2196	Reactive groups: 0

Topological Properties
Globularity: 0.0829315	Sterimol/B1: 2.36326	Sterimol/B2: 2.37712	Sterimol/B3: 4.93808
Sterimol/B4: 6.59036	Sterimol/L: 15.3441

Surface and Volume Properties
Accessible surface: 520.197	Positive charged surface: 214.224	Negative charged surface: 305.973	Volume: 281.375
Hydrophobic surface: 470.187	Hydrophilic surface: 50.01

Pharmacophoric Properties
Hydrogen bond donors: 0	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.