MMsINC Database Search


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MMsINC code: MMs02701491

Type: Neutral
Formula: C₁₀H₁₀ClN₃O₂S₂

SMILES:

Clc1ncc(S(=O)(=O)Nc2sc(C)c(n2)C)cc1

InChI:

InChI=1/C10H10ClN3O2S2/c1-6-7(2)17-10(13-6)14-18(15,16)8-3-4-9(11)12-5-8/h3-5H,1-2H3,(H,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=1.7132 kcal/mol

Physical Properties
Molecular Weight: 303.794 g/mol	logS: -2.93228	SlogP: 2.60914	Reactive groups: 0

Topological Properties
Globularity: 0.130616	Sterimol/B1: 3.04658	Sterimol/B2: 4.13899	Sterimol/B3: 4.55135
Sterimol/B4: 6.12279	Sterimol/L: 12.6224

Surface and Volume Properties
Accessible surface: 473.023	Positive charged surface: 201.432	Negative charged surface: 271.591	Volume: 240.875
Hydrophobic surface: 354.807	Hydrophilic surface: 118.216

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.