MMsINC Database Search


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MMsINC code: MMs01467258

Type: Neutral
Formula: C₁₇H₁₆Cl₂N₂O₃S

SMILES:

Clc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)c(Cl)cc1

InChI:

InChI=1/C17H16Cl2N2O3S/c18-13-5-1-2-6-15(13)20-17(22)12-7-8-14(19)16(11-12)25(23,24)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.2347 kcal/mol

Physical Properties
Molecular Weight: 399.298 g/mol	logS: -5.28939	SlogP: 4.0302	Reactive groups: 0

Topological Properties
Globularity: 0.0675772	Sterimol/B1: 2.41937	Sterimol/B2: 4.08181	Sterimol/B3: 4.45281
Sterimol/B4: 6.66191	Sterimol/L: 17.5688

Surface and Volume Properties
Accessible surface: 592.85	Positive charged surface: 287.239	Negative charged surface: 305.611	Volume: 332.125
Hydrophobic surface: 506.531	Hydrophilic surface: 86.319

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.