MMsINC Database Search


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MMsINC code: MMs03621834

Type: Neutral
Formula: C₁₅H₁₅Cl₂NO₃S

SMILES:

Clc1cc(S(=O)(=O)N(CC(O)c2ccccc2)C)ccc1Cl

InChI:

InChI=1/C15H15Cl2NO3S/c1-18(10-15(19)11-5-3-2-4-6-11)22(20,21)12-7-8-13(16)14(17)9-12/h2-9,15,19H,10H2,1H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.2912 kcal/mol

Physical Properties
Molecular Weight: 360.261 g/mol	logS: -4.33238	SlogP: 3.443	Reactive groups: 0

Topological Properties
Globularity: 0.088442	Sterimol/B1: 2.12315	Sterimol/B2: 3.35015	Sterimol/B3: 4.30645
Sterimol/B4: 7.41359	Sterimol/L: 16.0256

Surface and Volume Properties
Accessible surface: 548.307	Positive charged surface: 243.775	Negative charged surface: 304.533	Volume: 304
Hydrophobic surface: 470.652	Hydrophilic surface: 77.655

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.