MMsINC Database Search


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MMsINC code: MMs00051154

Type: Ionized
Formula: C₆H₄ClFNO₂S-

SMILES:

Clc1cccc(S(=O)([O-])=[NH])c1F

InChI:

InChI=1/C6H4ClFNO2S/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3H,(H-,9,10,11)/q-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=19.9482 kcal/mol

Physical Properties
Molecular Weight: 208.62 g/mol	logS: -2.66515	SlogP: 1.4507	Reactive groups: 0

Topological Properties
Globularity: 0.0719606	Sterimol/B1: 2.59225	Sterimol/B2: 3.08145	Sterimol/B3: 3.36542
Sterimol/B4: 5.99745	Sterimol/L: 9.78684

Surface and Volume Properties
Accessible surface: 333.844	Positive charged surface: 91.9659	Negative charged surface: 241.878	Volume: 148.625
Hydrophobic surface: 227.244	Hydrophilic surface: 106.6

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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:

MMs00051153
APOLLO-ZINC02243198