MMsINC Database Search


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MMsINC code: MMs01629129

Type: Neutral
Formula: C₁₇H₁₇ClN₂O₄S

SMILES:

Clc1ccc(cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1

InChI:

InChI=1/C17H17ClN2O4S/c18-14-6-4-13(5-7-14)17(21)19-15-2-1-3-16(12-15)25(22,23)20-8-10-24-11-9-20/h1-7,12H,8-11H2,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.8174 kcal/mol

Physical Properties
Molecular Weight: 380.852 g/mol	logS: -4.2942	SlogP: 2.6132	Reactive groups: 0

Topological Properties
Globularity: 0.0615257	Sterimol/B1: 2.51238	Sterimol/B2: 3.67462	Sterimol/B3: 4.01437
Sterimol/B4: 8.02999	Sterimol/L: 18.4062

Surface and Volume Properties
Accessible surface: 599.252	Positive charged surface: 326.454	Negative charged surface: 272.798	Volume: 325.25
Hydrophobic surface: 495.988	Hydrophilic surface: 103.264

Pharmacophoric Properties
Hydrogen bond donors: 1	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.