MMsINC Database Search


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MMsINC code: MMs02764310

Type: Neutral
Formula: C₁₅H₂₃ClN₂O₄S

SMILES:

Clc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NC(C)(C)C

InChI:

InChI=1/C15H23ClN2O4S/c1-10(2)18-23(20,21)11-6-7-13(12(16)8-11)22-9-14(19)17-15(3,4)5/h6-8,10,18H,9H2,1-5H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.3155 kcal/mol

Physical Properties
Molecular Weight: 362.878 g/mol	logS: -3.81615	SlogP: 2.3202	Reactive groups: 0

Topological Properties
Globularity: 0.0573676	Sterimol/B1: 2.78988	Sterimol/B2: 3.23587	Sterimol/B3: 5.64624
Sterimol/B4: 6.07229	Sterimol/L: 18.3141

Surface and Volume Properties
Accessible surface: 610.767	Positive charged surface: 349.997	Negative charged surface: 260.77	Volume: 325.625
Hydrophobic surface: 402.829	Hydrophilic surface: 207.938

Pharmacophoric Properties
Hydrogen bond donors: 2	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.