MMsINC Database Search


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MMsINC code: MMs03314201

Type: Ionized
Formula: C₁₄H₈F₂NO₃-

SMILES:

Fc1cccc(F)c1C(=O)Nc1ccccc1C(=O)[O-]

InChI:

InChI=1/C14H9F2NO3/c15-9-5-3-6-10(16)12(9)13(18)17-11-7-2-1-4-8(11)14(19)20/h1-7H,(H,17,18)(H,19,20)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.3031 kcal/mol

Physical Properties
Molecular Weight: 276.218 g/mol	logS: -4.17468	SlogP: 1.5806	Reactive groups: 0

Topological Properties
Globularity: 0.0608873	Sterimol/B1: 3.13792	Sterimol/B2: 3.45979	Sterimol/B3: 3.71652
Sterimol/B4: 5.37415	Sterimol/L: 14.2184

Surface and Volume Properties
Accessible surface: 454.134	Positive charged surface: 193.763	Negative charged surface: 260.372	Volume: 229.75
Hydrophobic surface: 351.356	Hydrophilic surface: 102.778

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

search links for this molecule:

Parent related molecule:

MMs03314200
PUBCHEM-ZINC05583853