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MMsINC code: MMs02625344

Type: Neutral
Formula: C₁₄H₁₇ClN₂O₃S

SMILES:

Clc1cc2c(cc1S(=O)(=O)N)C(=O)N(C2)C1CCCCC1

InChI:

InChI=1/C14H17ClN2O3S/c15-12-6-9-8-17(10-4-2-1-3-5-10)14(18)11(9)7-13(12)21(16,19)20/h6-7,10H,1-5,8H2,(H2,16,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.1313 kcal/mol

Physical Properties
Molecular Weight: 328.82 g/mol	logS: -3.97946	SlogP: 2.5423	Reactive groups: 0

Topological Properties
Globularity: 0.0731152	Sterimol/B1: 2.55237	Sterimol/B2: 3.59954	Sterimol/B3: 3.63478
Sterimol/B4: 6.19406	Sterimol/L: 15.7884

Surface and Volume Properties
Accessible surface: 518.279	Positive charged surface: 306.716	Negative charged surface: 211.564	Volume: 278.625
Hydrophobic surface: 362.375	Hydrophilic surface: 155.904

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

MMs02625345
PUBCHEM-ZINC00001199