MMsINC Database Search


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MMsINC code: MMs01901713

Type: Neutral
Formula: C₁₅H₁₁Cl₂N₃O₃S

SMILES:

Clc1ccc(cc1)-c1nc(on1)CNS(=O)(=O)c1ccc(Cl)cc1

InChI:

InChI=1/C15H11Cl2N3O3S/c16-11-3-1-10(2-4-11)15-19-14(23-20-15)9-18-24(21,22)13-7-5-12(17)6-8-13/h1-8,18H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.6146 kcal/mol

Physical Properties
Molecular Weight: 384.243 g/mol	logS: -6.25819	SlogP: 3.7883	Reactive groups: 0

Topological Properties
Globularity: 0.0554657	Sterimol/B1: 3.77243	Sterimol/B2: 3.85309	Sterimol/B3: 4.44122
Sterimol/B4: 5.96435	Sterimol/L: 18.1816

Surface and Volume Properties
Accessible surface: 594.946	Positive charged surface: 222.538	Negative charged surface: 372.408	Volume: 305.25
Hydrophobic surface: 457.111	Hydrophilic surface: 137.835

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.