MMsINC Database Search


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MMsINC code: MMs00080131

Type: Ionized
Formula: C₁₄H₉FNO₃-

SMILES:

Fc1ccccc1C(=O)Nc1ccccc1C(=O)[O-]

InChI:

InChI=1/C14H10FNO3/c15-11-7-3-1-5-9(11)13(17)16-12-8-4-2-6-10(12)14(18)19/h1-8H,(H,16,17)(H,18,19)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.6111 kcal/mol

Physical Properties
Molecular Weight: 258.228 g/mol	logS: -3.8797	SlogP: 1.4415	Reactive groups: 0

Topological Properties
Globularity: 0.028996	Sterimol/B1: 2.69091	Sterimol/B2: 2.80301	Sterimol/B3: 3.62145
Sterimol/B4: 5.44869	Sterimol/L: 14.2612

Surface and Volume Properties
Accessible surface: 449.64	Positive charged surface: 208.527	Negative charged surface: 241.112	Volume: 227.875
Hydrophobic surface: 343.761	Hydrophilic surface: 105.879

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:

MMs00080130
ASINEX-ZINC00130289