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MMsINC code: MMs03359730

Type: Neutral
Formula: C₁₆H₁₆FNO₃

SMILES:

Fc1ccccc1COc1cc(ccc1)C(N)(C(O)=O)C

InChI:

InChI=1/C16H16FNO3/c1-16(18,15(19)20)12-6-4-7-13(9-12)21-10-11-5-2-3-8-14(11)17/h2-9H,10,18H2,1H3,(H,19,20)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.9028 kcal/mol

Physical Properties
Molecular Weight: 289.306 g/mol	logS: -3.48611	SlogP: 3.2411	Reactive groups: 0

Topological Properties
Globularity: 0.0450966	Sterimol/B1: 2.48225	Sterimol/B2: 4.63253	Sterimol/B3: 4.76037
Sterimol/B4: 4.87601	Sterimol/L: 15.5545

Surface and Volume Properties
Accessible surface: 518.824	Positive charged surface: 289.694	Negative charged surface: 229.13	Volume: 268.125
Hydrophobic surface: 372.126	Hydrophilic surface: 146.698

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

MMs03359731
PUBCHEM-ZINC05723635