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MMsINC code: MMs01114770

Type: Ionized
Formula: C₁₀H₁₀Cl₃N₂O₃S-

SMILES:

ClC(Cl)(Cl)C(=O)NCCc1ccc(S(=O)([O-])=[NH])cc1

InChI:

InChI=1/C10H11Cl3N2O3S/c11-10(12,13)9(16)15-6-5-7-1-3-8(4-2-7)19(14,17)18/h1-4H,5-6H2,(H3,14,15,16,17,18)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.2712 kcal/mol

Physical Properties
Molecular Weight: 344.626 g/mol	logS: -4.25124	SlogP: 2.10697	Reactive groups: 0

Topological Properties
Globularity: 0.0578509	Sterimol/B1: 2.43464	Sterimol/B2: 3.02109	Sterimol/B3: 4.01732
Sterimol/B4: 5.0533	Sterimol/L: 16.8577

Surface and Volume Properties
Accessible surface: 528.149	Positive charged surface: 160.453	Negative charged surface: 367.695	Volume: 260.5
Hydrophobic surface: 209.121	Hydrophilic surface: 319.028

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	Acid groups: 3	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

search links for this molecule:

Parent related molecule:

MMs01114769
CHEMSTAR-ZINC04524797