MMsINC Database Search


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MMsINC code: MMs01632346

Type: Neutral
Formula: C₁₆H₁₆FNO₄

SMILES:

Fc1ccc(OCC(=O)Nc2cc(OC)c(OC)cc2)cc1

InChI:

InChI=1/C16H16FNO4/c1-20-14-8-5-12(9-15(14)21-2)18-16(19)10-22-13-6-3-11(17)4-7-13/h3-9H,10H2,1-2H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.45 kcal/mol

Physical Properties
Molecular Weight: 305.305 g/mol	logS: -3.82743	SlogP: 2.8604	Reactive groups: 0

Topological Properties
Globularity: 0.0171656	Sterimol/B1: 2.03904	Sterimol/B2: 2.61049	Sterimol/B3: 2.95387
Sterimol/B4: 7.52644	Sterimol/L: 18.2061

Surface and Volume Properties
Accessible surface: 559.798	Positive charged surface: 374.997	Negative charged surface: 184.802	Volume: 279.25
Hydrophobic surface: 489.282	Hydrophilic surface: 70.516

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.