MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00477933

Type: Ionized
Formula: C₇H₅Cl₂N₂O₄S-

SMILES:

ClC(Cl)(S(=O)(=O)[O-])C(=O)Nc1ncccc1

InChI:

InChI=1/C7H6Cl2N2O4S/c8-7(9,16(13,14)15)6(12)11-5-3-1-2-4-10-5/h1-4H,(H,10,11,12)(H,13,14,15)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.8076 kcal/mol

Physical Properties
Molecular Weight: 284.099 g/mol	logS: -2.37464	SlogP: 1.1166	Reactive groups: 0

Topological Properties
Globularity: 0.0506145	Sterimol/B1: 2.48436	Sterimol/B2: 3.73979	Sterimol/B3: 4.05684
Sterimol/B4: 5.09642	Sterimol/L: 12.6235

Surface and Volume Properties
Accessible surface: 415.749	Positive charged surface: 128.893	Negative charged surface: 286.856	Volume: 198.5
Hydrophobic surface: 163.594	Hydrophilic surface: 252.155

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

MMs00477932
AURORAFEINCHEMIE-ZINC06665597