MMsINC Database Search


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MMsINC code: MMs02149837

Type: Neutral
Formula: C₁₇H₁₅ClN₂O₃S₂

SMILES:

Clc1cc2c(scc2CNC(=O)NS(=O)(=O)c2ccc(cc2)C)cc1

InChI:

InChI=1/C17H15ClN2O3S2/c1-11-2-5-14(6-3-11)25(22,23)20-17(21)19-9-12-10-24-16-7-4-13(18)8-15(12)16/h2-8,10H,9H2,1H3,(H2,19,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-14.0694 kcal/mol

Physical Properties
Molecular Weight: 394.903 g/mol	logS: -6.12782	SlogP: 4.31762	Reactive groups: 0

Topological Properties
Globularity: 0.0930813	Sterimol/B1: 2.9253	Sterimol/B2: 3.62512	Sterimol/B3: 5.19817
Sterimol/B4: 7.72032	Sterimol/L: 16.1654

Surface and Volume Properties
Accessible surface: 622.259	Positive charged surface: 273.101	Negative charged surface: 345.13	Volume: 331.375
Hydrophobic surface: 499.061	Hydrophilic surface: 123.198

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.