MMsINC Database Search


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MMsINC code: MMs01502555

Type: Neutral
Formula: C₁₉H₂₃ClN₂O₃S

SMILES:

Clc1ccc(NC(=O)c2cc(S(=O)(=O)N(CCC)CCC)ccc2)cc1

InChI:

InChI=1/C19H23ClN2O3S/c1-3-12-22(13-4-2)26(24,25)18-7-5-6-15(14-18)19(23)21-17-10-8-16(20)9-11-17/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.6237 kcal/mol

Physical Properties
Molecular Weight: 394.923 g/mol	logS: -5.06068	SlogP: 4.403	Reactive groups: 0

Topological Properties
Globularity: 0.0404781	Sterimol/B1: 2.06426	Sterimol/B2: 2.39539	Sterimol/B3: 5.15662
Sterimol/B4: 8.87819	Sterimol/L: 20.1298

Surface and Volume Properties
Accessible surface: 654.195	Positive charged surface: 347.919	Negative charged surface: 306.276	Volume: 363.875
Hydrophobic surface: 523.718	Hydrophilic surface: 130.477

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.