MMsINC Database Search


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MMsINC code: MMs00866894

Type: Neutral
Formula: C₁₈H₁₃Cl₂N₃O₃S

SMILES:

Clc1ccc(cc1S(=O)(=O)Nc1ncc(Cl)cc1)C(=O)Nc1ccccc1

InChI:

InChI=1/C18H13Cl2N3O3S/c19-13-7-9-17(21-11-13)23-27(25,26)16-10-12(6-8-15(16)20)18(24)22-14-4-2-1-3-5-14/h1-11H,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.1419 kcal/mol

Physical Properties
Molecular Weight: 422.292 g/mol	logS: -5.53841	SlogP: 4.4415	Reactive groups: 0

Topological Properties
Globularity: 0.0964815	Sterimol/B1: 3.98693	Sterimol/B2: 4.30109	Sterimol/B3: 5.685
Sterimol/B4: 6.45403	Sterimol/L: 16.5855

Surface and Volume Properties
Accessible surface: 618.454	Positive charged surface: 265.931	Negative charged surface: 352.523	Volume: 345.25
Hydrophobic surface: 505.38	Hydrophilic surface: 113.074

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.