MMsINC Database Search


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MMsINC code: MMs01439539

Type: Neutral
Formula: C₁₈H₁₈FNO₄

SMILES:

Fc1ccc(cc1)CNC(=O)COC(=O)COc1ccccc1C

InChI:

InChI=1/C18H18FNO4/c1-13-4-2-3-5-16(13)23-12-18(22)24-11-17(21)20-10-14-6-8-15(19)9-7-14/h2-9H,10-12H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.8284 kcal/mol

Physical Properties
Molecular Weight: 331.343 g/mol	logS: -4.23935	SlogP: 2.63892	Reactive groups: 1

Topological Properties
Globularity: 0.0229259	Sterimol/B1: 1.99699	Sterimol/B2: 3.61685	Sterimol/B3: 3.62199
Sterimol/B4: 6.75777	Sterimol/L: 21.0306

Surface and Volume Properties
Accessible surface: 624.05	Positive charged surface: 366.508	Negative charged surface: 257.542	Volume: 309.25
Hydrophobic surface: 522.601	Hydrophilic surface: 101.449

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.