MMsINC Database Search


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MMsINC code: MMs03477920

Type: Neutral
Formula: C₁₅H₁₁Cl₂N₃O₂S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)Nc1n[nH]c(c1)-c1ccccc1

InChI:

InChI=1/C15H11Cl2N3O2S/c16-11-6-7-12(17)14(8-11)23(21,22)20-15-9-13(18-19-15)10-4-2-1-3-5-10/h1-9H,(H2,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.591 kcal/mol

Physical Properties
Molecular Weight: 368.244 g/mol	logS: -5.65778	SlogP: 4.1843	Reactive groups: 0

Topological Properties
Globularity: 0.105389	Sterimol/B1: 3.84028	Sterimol/B2: 4.96947	Sterimol/B3: 4.97997
Sterimol/B4: 5.14351	Sterimol/L: 14.7453

Surface and Volume Properties
Accessible surface: 552.133	Positive charged surface: 217.858	Negative charged surface: 334.275	Volume: 296.75
Hydrophobic surface: 426.807	Hydrophilic surface: 125.326

Pharmacophoric Properties
Hydrogen bond donors: 3	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.