MMsINC Database Search


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MMsINC code: MMs01719716

Type: Neutral
Formula: C₁₅H₁₅Cl₂NO₂S

SMILES:

Clc1cc(Cl)ccc1CN(S(=O)(=O)c1ccc(cc1)C)C

InChI:

InChI=1/C15H15Cl2NO2S/c1-11-3-7-14(8-4-11)21(19,20)18(2)10-12-5-6-13(16)9-15(12)17/h3-9H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.948 kcal/mol

Physical Properties
Molecular Weight: 344.262 g/mol	logS: -5.00884	SlogP: 4.38892	Reactive groups: 0

Topological Properties
Globularity: 0.0655829	Sterimol/B1: 3.13568	Sterimol/B2: 3.53366	Sterimol/B3: 4.73588
Sterimol/B4: 4.92609	Sterimol/L: 16.9144

Surface and Volume Properties
Accessible surface: 536.683	Positive charged surface: 245.465	Negative charged surface: 291.218	Volume: 293.75
Hydrophobic surface: 483.598	Hydrophilic surface: 53.085

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.