MMsINC Database Search


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MMsINC code: MMs00496999

Type: Neutral
Formula: C₁₄H₁₀FNO₄

SMILES:

Fc1ccc(cc1)C(=O)Nc1ccc(O)cc1C(O)=O

InChI:

InChI=1/C14H10FNO4/c15-9-3-1-8(2-4-9)13(18)16-12-6-5-10(17)7-11(12)14(19)20/h1-7,17H,(H,16,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.2579 kcal/mol

Physical Properties
Molecular Weight: 275.235 g/mol	logS: -3.2573	SlogP: 2.4818	Reactive groups: 0

Topological Properties
Globularity: 0.0177323	Sterimol/B1: 2.097	Sterimol/B2: 2.97334	Sterimol/B3: 3.02313
Sterimol/B4: 6.72837	Sterimol/L: 15.0313

Surface and Volume Properties
Accessible surface: 463.677	Positive charged surface: 243.605	Negative charged surface: 220.072	Volume: 233.125
Hydrophobic surface: 300.328	Hydrophilic surface: 163.349

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs00497000
CHEMBLOCK-ZINC00094602