MMsINC Database Search


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MMsINC code: MMs01435964

Type: Neutral
Formula: C₂₀H₂₁FN₂O₅

SMILES:

Fc1cc(NC(=O)COC(=O)CNC(=O)c2ccccc2OCC)c(cc1)C

InChI:

InChI=1/C20H21FN2O5/c1-3-27-17-7-5-4-6-15(17)20(26)22-11-19(25)28-12-18(24)23-16-10-14(21)9-8-13(16)2/h4-10H,3,11-12H2,1-2H3,(H,22,26)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.672 kcal/mol

Physical Properties
Molecular Weight: 388.395 g/mol	logS: -4.76865	SlogP: 2.44452	Reactive groups: 1

Topological Properties
Globularity: 0.00910494	Sterimol/B1: 1.969	Sterimol/B2: 2.56852	Sterimol/B3: 3.15533
Sterimol/B4: 8.64152	Sterimol/L: 20.8703

Surface and Volume Properties
Accessible surface: 691.167	Positive charged surface: 425.866	Negative charged surface: 265.301	Volume: 355.25
Hydrophobic surface: 543.271	Hydrophilic surface: 147.896

Pharmacophoric Properties
Hydrogen bond donors: 2	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.