MMsINC Database Search


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MMsINC code: MMs02954426

Type: Neutral
Formula: C₁₆H₁₇ClN₂O₄S

SMILES:

Clc1cc(S(=O)(=O)N(Cc2ccccc2)CC(=O)N)ccc1OC

InChI:

InChI=1/C16H17ClN2O4S/c1-23-15-8-7-13(9-14(15)17)24(21,22)19(11-16(18)20)10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H2,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.5908 kcal/mol

Physical Properties
Molecular Weight: 368.841 g/mol	logS: -4.12957	SlogP: 2.2912	Reactive groups: 0

Topological Properties
Globularity: 0.0630381	Sterimol/B1: 3.5385	Sterimol/B2: 4.61566	Sterimol/B3: 5.04696
Sterimol/B4: 5.94102	Sterimol/L: 17.0653

Surface and Volume Properties
Accessible surface: 571.235	Positive charged surface: 326.536	Negative charged surface: 244.7	Volume: 317.625
Hydrophobic surface: 426.644	Hydrophilic surface: 144.591

Pharmacophoric Properties
Hydrogen bond donors: 1	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.