MMsINC Database Search


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MMsINC code: MMs01418136

Type: Neutral
Formula: C₁₈H₁₈FNO₅

SMILES:

Fc1ccc(cc1)CNC(=O)COC(=O)c1cc(OC)cc(OC)c1

InChI:

InChI=1/C18H18FNO5/c1-23-15-7-13(8-16(9-15)24-2)18(22)25-11-17(21)20-10-12-3-5-14(19)6-4-12/h3-9H,10-11H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.5922 kcal/mol

Physical Properties
Molecular Weight: 347.342 g/mol	logS: -4.10282	SlogP: 2.5825	Reactive groups: 0

Topological Properties
Globularity: 0.0233888	Sterimol/B1: 2.61922	Sterimol/B2: 3.61783	Sterimol/B3: 3.62144
Sterimol/B4: 6.93237	Sterimol/L: 20.6708

Surface and Volume Properties
Accessible surface: 634.509	Positive charged surface: 419.53	Negative charged surface: 214.979	Volume: 317.75
Hydrophobic surface: 518.75	Hydrophilic surface: 115.759

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.