MMsINC Database Search


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MMsINC code: MMs00444230

Type: Neutral
Formula: C₁₅H₁₆Cl₂N₂O₃S₂

SMILES:

Clc1ccc(Cl)cc1NC(=O)c1scc(S(=O)(=O)N(CC)CC)c1

InChI:

InChI=1/C15H16Cl2N2O3S2/c1-3-19(4-2)24(21,22)11-8-14(23-9-11)15(20)18-13-7-10(16)5-6-12(13)17/h5-9H,3-4H2,1-2H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.0094 kcal/mol

Physical Properties
Molecular Weight: 407.342 g/mol	logS: -5.1981	SlogP: 4.3377	Reactive groups: 0

Topological Properties
Globularity: 0.067062	Sterimol/B1: 2.36899	Sterimol/B2: 2.85137	Sterimol/B3: 5.34965
Sterimol/B4: 6.99938	Sterimol/L: 16.5765

Surface and Volume Properties
Accessible surface: 606.361	Positive charged surface: 253.527	Negative charged surface: 352.834	Volume: 335.25
Hydrophobic surface: 477.125	Hydrophilic surface: 129.236

Pharmacophoric Properties
Hydrogen bond donors: 1	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.