MMsINC Database Search


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MMsINC code: MMs02775274

Type: Neutral
Formula: C₁₇H₂₄Cl₂N₂O₃S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)NC1CCCCCCC1)C

InChI:

InChI=1/C17H24Cl2N2O3S/c1-21(25(23,24)16-11-13(18)9-10-15(16)19)12-17(22)20-14-7-5-3-2-4-6-8-14/h9-11,14H,2-8,12H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.161 kcal/mol

Physical Properties
Molecular Weight: 407.362 g/mol	logS: -5.44117	SlogP: 3.843	Reactive groups: 0

Topological Properties
Globularity: 0.0755169	Sterimol/B1: 1.969	Sterimol/B2: 3.92998	Sterimol/B3: 4.38813
Sterimol/B4: 8.07391	Sterimol/L: 17.2845

Surface and Volume Properties
Accessible surface: 613.732	Positive charged surface: 348.446	Negative charged surface: 265.286	Volume: 352.75
Hydrophobic surface: 530.751	Hydrophilic surface: 82.981

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.