MMsINC Database Search


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MMsINC code: MMs01900672

Type: Neutral
Formula: C₁₆H₁₃Cl₂N₃O₃S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)NCc1onc(n1)-c1ccc(cc1)C

InChI:

InChI=1/C16H13Cl2N3O3S/c1-10-2-4-11(5-3-10)16-20-15(24-21-16)9-19-25(22,23)14-8-12(17)6-7-13(14)18/h2-8,19H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.5272 kcal/mol

Physical Properties
Molecular Weight: 398.27 g/mol	logS: -6.73211	SlogP: 4.09672	Reactive groups: 0

Topological Properties
Globularity: 0.0495465	Sterimol/B1: 3.42404	Sterimol/B2: 4.00236	Sterimol/B3: 4.32217
Sterimol/B4: 5.96052	Sterimol/L: 18.2477

Surface and Volume Properties
Accessible surface: 608.271	Positive charged surface: 244.956	Negative charged surface: 363.315	Volume: 318.375
Hydrophobic surface: 471.816	Hydrophilic surface: 136.455

Pharmacophoric Properties
Hydrogen bond donors: 1	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.