MMsINC Database Search


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MMsINC code: MMs01506224

Type: Neutral
Formula: C₁₅H₁₃ClF₂N₂O₃S

SMILES:

Clc1cc(F)c(F)cc1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1

InChI:

InChI=1/C15H13ClF2N2O3S/c1-20(2)24(22,23)10-5-3-9(4-6-10)19-15(21)11-7-13(17)14(18)8-12(11)16/h3-8H,1-2H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.6943 kcal/mol

Physical Properties
Molecular Weight: 374.795 g/mol	logS: -4.59268	SlogP: 3.1208	Reactive groups: 0

Topological Properties
Globularity: 0.0441472	Sterimol/B1: 3.26405	Sterimol/B2: 3.52408	Sterimol/B3: 4.25442
Sterimol/B4: 5.82702	Sterimol/L: 17.2561

Surface and Volume Properties
Accessible surface: 556.345	Positive charged surface: 281.993	Negative charged surface: 274.352	Volume: 299.375
Hydrophobic surface: 472.898	Hydrophilic surface: 83.447

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