MMsINC Database Search


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MMsINC code: MMs01630384

Type: Neutral
Formula: C₁₅H₁₅Cl₂N₃O₂S₂

SMILES:

Clc1c(NC(=S)Nc2cc(S(=O)(=O)N(C)C)ccc2)cccc1Cl

InChI:

InChI=1/C15H15Cl2N3O2S2/c1-20(2)24(21,22)11-6-3-5-10(9-11)18-15(23)19-13-8-4-7-12(16)14(13)17/h3-9H,1-2H3,(H2,18,19,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.759 kcal/mol

Physical Properties
Molecular Weight: 404.342 g/mol	logS: -5.85083	SlogP: 4.0526	Reactive groups: 0

Topological Properties
Globularity: 0.0925338	Sterimol/B1: 2.35605	Sterimol/B2: 3.31531	Sterimol/B3: 4.63706
Sterimol/B4: 6.53117	Sterimol/L: 17.9577

Surface and Volume Properties
Accessible surface: 606.355	Positive charged surface: 304.612	Negative charged surface: 301.743	Volume: 330.125
Hydrophobic surface: 473.144	Hydrophilic surface: 133.211

Pharmacophoric Properties
Hydrogen bond donors: 2	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.