MMsINC Database Search


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MMsINC code: MMs01526833

Type: Ionized
Formula: C₁₄H₁₁FNO₄S-

SMILES:

S(=O)(=O)(Nc1cc(ccc1)C(=O)[O-])c1cc(F)ccc1C

InChI:

InChI=1/C14H12FNO4S/c1-9-5-6-11(15)8-13(9)21(19,20)16-12-4-2-3-10(7-12)14(17)18/h2-8,16H,1H3,(H,17,18)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.7412 kcal/mol

Physical Properties
Molecular Weight: 308.309 g/mol	logS: -3.73202	SlogP: 1.29842	Reactive groups: 0

Topological Properties
Globularity: 0.44415	Sterimol/B1: 2.11531	Sterimol/B2: 4.40428	Sterimol/B3: 5.27728
Sterimol/B4: 6.96262	Sterimol/L: 10.7107

Surface and Volume Properties
Accessible surface: 468.317	Positive charged surface: 199.31	Negative charged surface: 269.007	Volume: 258
Hydrophobic surface: 305.173	Hydrophilic surface: 163.144

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

MMs01526832
ENAMINE-ZINC03884805