MMsINC Database Search


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MMsINC code: MMs02909094

Type: Neutral
Formula: C₁₄H₁₀FNO₃S

SMILES:

S(CC(=O)c1ccc(F)cc1)c1ncccc1C(O)=O

InChI:

InChI=1/C14H10FNO3S/c15-10-5-3-9(4-6-10)12(17)8-20-13-11(14(18)19)2-1-7-16-13/h1-7H,8H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.3637 kcal/mol

Physical Properties
Molecular Weight: 291.302 g/mol	logS: -3.82303	SlogP: 2.8939	Reactive groups: 0

Topological Properties
Globularity: 0.00339594	Sterimol/B1: 2.37361	Sterimol/B2: 2.37649	Sterimol/B3: 2.7745
Sterimol/B4: 6.37186	Sterimol/L: 15.4214

Surface and Volume Properties
Accessible surface: 497.916	Positive charged surface: 273.647	Negative charged surface: 224.269	Volume: 248.25
Hydrophobic surface: 344.702	Hydrophilic surface: 153.214

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	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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Ions/Tautomers related molecules

MMs02909095
PUBCHEM-ZINC02674875