MMsINC Database Search


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MMsINC code: MMs00456050

Type: Neutral
Formula: C₂₀H₂₃FN₂O₃

SMILES:

Fc1ccc(cc1)C(=O)NC(C(C)C)C(=O)Nc1ccccc1OCC

InChI:

InChI=1/C20H23FN2O3/c1-4-26-17-8-6-5-7-16(17)22-20(25)18(13(2)3)23-19(24)14-9-11-15(21)12-10-14/h5-13,18H,4H2,1-3H3,(H,22,25)(H,23,24)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.921 kcal/mol

Physical Properties
Molecular Weight: 358.413 g/mol	logS: -4.93076	SlogP: 3.6175	Reactive groups: 0

Topological Properties
Globularity: 0.107609	Sterimol/B1: 2.25119	Sterimol/B2: 2.52943	Sterimol/B3: 6.48589
Sterimol/B4: 7.75307	Sterimol/L: 17.3377

Surface and Volume Properties
Accessible surface: 635.719	Positive charged surface: 380.152	Negative charged surface: 255.566	Volume: 343.125
Hydrophobic surface: 527.067	Hydrophilic surface: 108.652

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.