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MMsINC code: MMs02626252

Type: Ionized
Formula: C₁₁H₇FNO₂S-

SMILES:

S=C(Cc1c2cc(F)ccc2[nH]c1)C(=O)[O-]

InChI:

InChI=1/C11H8FNO2S/c12-7-1-2-9-8(4-7)6(5-13-9)3-10(16)11(14)15/h1-2,4-5,13H,3H2,(H,14,15)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.4305 kcal/mol

Physical Properties
Molecular Weight: 236.246 g/mol	logS: -3.84571	SlogP: 0.96927	Reactive groups: 0

Topological Properties
Globularity: 0.108705	Sterimol/B1: 3.22357	Sterimol/B2: 3.69363	Sterimol/B3: 3.71243
Sterimol/B4: 5.27688	Sterimol/L: 11.9237

Surface and Volume Properties
Accessible surface: 400.051	Positive charged surface: 160.217	Negative charged surface: 236.089	Volume: 200
Hydrophobic surface: 216.754	Hydrophilic surface: 183.297

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 2	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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Parent related molecule:

MMs02626251
PUBCHEM-ZINC00006696