MMsINC Database Search


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MMsINC code: MMs01590518

Type: Neutral
Formula: C₁₈H₁₅ClN₂O₄S

SMILES:

Clc1ccccc1S(=O)(=O)Nc1ccccc1C(=O)NCc1occc1

InChI:

InChI=1/C18H15ClN2O4S/c19-15-8-2-4-10-17(15)26(23,24)21-16-9-3-1-7-14(16)18(22)20-12-13-6-5-11-25-13/h1-11,21H,12H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.926 kcal/mol

Physical Properties
Molecular Weight: 390.847 g/mol	logS: -5.44661	SlogP: 3.9302	Reactive groups: 0

Topological Properties
Globularity: 0.0538183	Sterimol/B1: 2.51144	Sterimol/B2: 3.64182	Sterimol/B3: 4.53078
Sterimol/B4: 7.59657	Sterimol/L: 17.9898

Surface and Volume Properties
Accessible surface: 605.231	Positive charged surface: 271.836	Negative charged surface: 333.394	Volume: 332.5
Hydrophobic surface: 488.52	Hydrophilic surface: 116.711

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.