MMsINC Database Search


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MMsINC code: MMs02143137

Type: Ionized
Formula: C₁₅H₁₀F₂NO₄-

SMILES:

FC(F)Oc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1

InChI:

InChI=1/C15H11F2NO4/c16-15(17)22-10-7-5-9(6-8-10)18-13(19)11-3-1-2-4-12(11)14(20)21/h1-8,15H,(H,18,19)(H,20,21)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.2909 kcal/mol

Physical Properties
Molecular Weight: 306.244 g/mol	logS: -3.71897	SlogP: 2.3237	Reactive groups: 0

Topological Properties
Globularity: 0.0134711	Sterimol/B1: 2.55941	Sterimol/B2: 2.7513	Sterimol/B3: 3.29187
Sterimol/B4: 6.18407	Sterimol/L: 16.7211

Surface and Volume Properties
Accessible surface: 486.306	Positive charged surface: 223.99	Negative charged surface: 262.316	Volume: 254.5
Hydrophobic surface: 302.457	Hydrophilic surface: 183.849

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

search links for this molecule:

Parent related molecule:

MMs02143136
MAYBRIDGE-ZINC00156456