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MMsINC code: MMs03418120

Type: Neutral
Formula: C₈H₁₀Cl₂N₂O₂S

SMILES:

Clc1cc(S(=O)(=O)NCC)c(Cl)cc1N

InChI:

InChI=1/C8H10Cl2N2O2S/c1-2-12-15(13,14)8-4-5(9)7(11)3-6(8)10/h3-4,12H,2,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.4489 kcal/mol

Physical Properties
Molecular Weight: 269.152 g/mol	logS: -2.73953	SlogP: 1.8738	Reactive groups: 0

Topological Properties
Globularity: 0.0864351	Sterimol/B1: 2.54442	Sterimol/B2: 2.91426	Sterimol/B3: 4.70047
Sterimol/B4: 5.54397	Sterimol/L: 12.2789

Surface and Volume Properties
Accessible surface: 412.983	Positive charged surface: 187.362	Negative charged surface: 225.62	Volume: 206.75
Hydrophobic surface: 255.293	Hydrophilic surface: 157.69

Pharmacophoric Properties
Hydrogen bond donors: 2	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.