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MMsINC code: MMs00443696

Type: Neutral
Formula: C₁₆H₁₇ClN₂O₄S₂

SMILES:

Clc1cc(NC(=O)c2sc(C)c(S(=O)(=O)N3CCCC3)c2)c(O)cc1

InChI:

InChI=1/C16H17ClN2O4S2/c1-10-15(25(22,23)19-6-2-3-7-19)9-14(24-10)16(21)18-12-8-11(17)4-5-13(12)20/h4-5,8-9,20H,2-3,6-7H2,1H3,(H,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.654 kcal/mol

Physical Properties
Molecular Weight: 400.907 g/mol	logS: -4.31321	SlogP: 3.45232	Reactive groups: 0

Topological Properties
Globularity: 0.0785947	Sterimol/B1: 2.40688	Sterimol/B2: 2.81277	Sterimol/B3: 6.02538
Sterimol/B4: 6.83274	Sterimol/L: 17.7313

Surface and Volume Properties
Accessible surface: 601.578	Positive charged surface: 301.833	Negative charged surface: 299.744	Volume: 330.5
Hydrophobic surface: 463.22	Hydrophilic surface: 138.358

Pharmacophoric Properties
Hydrogen bond donors: 2	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.