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MMsINC code: MMs01527931

Type: Neutral
Formula: C₁₀H₁₅ClN₂O₂S

SMILES:

Clc1ccc(N)cc1S(=O)(=O)N(CC)CC

InChI:

InChI=1/C10H15ClN2O2S/c1-3-13(4-2)16(14,15)10-7-8(12)5-6-9(10)11/h5-7H,3-4,12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.6293 kcal/mol

Physical Properties
Molecular Weight: 262.761 g/mol	logS: -2.40803	SlogP: 1.9527	Reactive groups: 0

Topological Properties
Globularity: 0.12639	Sterimol/B1: 2.34305	Sterimol/B2: 2.63143	Sterimol/B3: 5.24121
Sterimol/B4: 6.11653	Sterimol/L: 11.8412

Surface and Volume Properties
Accessible surface: 428.189	Positive charged surface: 251.093	Negative charged surface: 177.096	Volume: 228.875
Hydrophobic surface: 276.429	Hydrophilic surface: 151.76

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.