MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01502451

Type: Neutral
Formula: C₁₆H₁₇ClN₂O₃S

SMILES:

Clc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)ccc1C

InChI:

InChI=1/C16H17ClN2O3S/c1-11-4-7-13(10-15(11)17)18-16(20)12-5-8-14(9-6-12)23(21,22)19(2)3/h4-10H,1-3H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.1811 kcal/mol

Physical Properties
Molecular Weight: 352.842 g/mol	logS: -4.16319	SlogP: 3.15102	Reactive groups: 0

Topological Properties
Globularity: 0.0331762	Sterimol/B1: 3.21761	Sterimol/B2: 3.83334	Sterimol/B3: 4.30261
Sterimol/B4: 4.54816	Sterimol/L: 17.6918

Surface and Volume Properties
Accessible surface: 583.551	Positive charged surface: 322.583	Negative charged surface: 260.968	Volume: 310.75
Hydrophobic surface: 489.257	Hydrophilic surface: 94.294

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.