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MMsINC code: MMs02748844

Type: Neutral
Formula: C₁₈H₂₁ClN₂O₃S

SMILES:

Clc1ccc(N(S(=O)(=O)C)CC(=O)Nc2c(cccc2C)CC)cc1

InChI:

InChI=1/C18H21ClN2O3S/c1-4-14-7-5-6-13(2)18(14)20-17(22)12-21(25(3,23)24)16-10-8-15(19)9-11-16/h5-11H,4,12H2,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.675 kcal/mol

Physical Properties
Molecular Weight: 380.896 g/mol	logS: -4.86532	SlogP: 3.61549	Reactive groups: 0

Topological Properties
Globularity: 0.175908	Sterimol/B1: 2.44387	Sterimol/B2: 4.26575	Sterimol/B3: 4.57755
Sterimol/B4: 8.52851	Sterimol/L: 14.166

Surface and Volume Properties
Accessible surface: 590.718	Positive charged surface: 293.226	Negative charged surface: 297.493	Volume: 342.625
Hydrophobic surface: 483.548	Hydrophilic surface: 107.17

Pharmacophoric Properties
Hydrogen bond donors: 1	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.