MMsINC Database Search


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MMsINC code: MMs01921035

Type: Ionized
Formula: C₁₄H₁₀FO₂S-

SMILES:

S(Cc1ccc(F)cc1)c1ccccc1C(=O)[O-]

InChI:

InChI=1/C14H11FO2S/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)14(16)17/h1-8H,9H2,(H,16,17)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.1049 kcal/mol

Physical Properties
Molecular Weight: 261.296 g/mol	logS: -4.69901	SlogP: 2.7479	Reactive groups: 0

Topological Properties
Globularity: 0.0210906	Sterimol/B1: 2.31446	Sterimol/B2: 3.62806	Sterimol/B3: 3.67726
Sterimol/B4: 5.26599	Sterimol/L: 14.757

Surface and Volume Properties
Accessible surface: 461.139	Positive charged surface: 204.057	Negative charged surface: 257.083	Volume: 235.5
Hydrophobic surface: 359.202	Hydrophilic surface: 101.937

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

search links for this molecule:

Parent related molecule:

MMs01921034
IBS-ZINC05069718