MMsINC Database Search


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MMsINC code: MMs01668548

Type: Neutral
Formula: C₂₀H₂₁FN₂O₅

SMILES:

Fc1cc(ccc1OC)C(OCC(=O)NCC(=O)Nc1cccc(C)c1C)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.079 kcal/mol

Physical Properties
Molecular Weight: 388.395 g/mol	logS: -4.91536	SlogP: 2.36284	Reactive groups: 0

Topological Properties
Globularity: 0.00696938	Sterimol/B1: 2.30532	Sterimol/B2: 3.17321	Sterimol/B3: 3.6677
Sterimol/B4: 5.33962	Sterimol/L: 23.9937

Surface and Volume Properties
Accessible surface: 679.589	Positive charged surface: 429.18	Negative charged surface: 250.409	Volume: 357.75
Hydrophobic surface: 542.146	Hydrophilic surface: 137.443

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.