MMsINC Database Search


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MMsINC code: MMs01975790

Type: Neutral
Formula: C₁₆H₁₄FNO₄

SMILES:

Fc1ccc(NC(=O)c2ccc(OC(C(O)=O)C)cc2)cc1

InChI:

InChI=1/C16H14FNO4/c1-10(16(20)21)22-14-8-2-11(3-9-14)15(19)18-13-6-4-12(17)5-7-13/h2-10H,1H3,(H,18,19)(H,20,21)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.1718 kcal/mol

Physical Properties
Molecular Weight: 303.289 g/mol	logS: -4.02328	SlogP: 2.9299	Reactive groups: 0

Topological Properties
Globularity: 0.0289026	Sterimol/B1: 1.9837	Sterimol/B2: 3.32024	Sterimol/B3: 4.334
Sterimol/B4: 4.55851	Sterimol/L: 18.5311

Surface and Volume Properties
Accessible surface: 538.514	Positive charged surface: 282.294	Negative charged surface: 256.22	Volume: 270.875
Hydrophobic surface: 379.184	Hydrophilic surface: 159.33

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs01975791
IFLAB-ZINC00148412