MMsINC Database Search


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MMsINC code: MMs01466862

Type: Neutral
Formula: C₂₀H₂₂FNO₅

SMILES:

Fc1cc(NC(=O)COC(=O)c2cc(OC)c(OCCC)cc2)ccc1C

InChI:

InChI=1/C20H22FNO5/c1-4-9-26-17-8-6-14(10-18(17)25-3)20(24)27-12-19(23)22-15-7-5-13(2)16(21)11-15/h5-8,10-11H,4,9,12H2,1-3H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.27 kcal/mol

Physical Properties
Molecular Weight: 375.396 g/mol	logS: -4.84823	SlogP: 3.72702	Reactive groups: 0

Topological Properties
Globularity: 0.0112964	Sterimol/B1: 1.969	Sterimol/B2: 2.63812	Sterimol/B3: 2.93098
Sterimol/B4: 9.57402	Sterimol/L: 20.2427

Surface and Volume Properties
Accessible surface: 686.302	Positive charged surface: 456.616	Negative charged surface: 229.686	Volume: 352.125
Hydrophobic surface: 563.536	Hydrophilic surface: 122.766

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.