MMsINC Database Search


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MMsINC code: MMs01286553

Type: Neutral
Formula: C₁₆H₁₈FN₃O₅

SMILES:

Fc1ccc(cc1)C1(NC(=O)N(CC(=O)NCC(OC)=O)C1=O)CC

InChI:

InChI=1/C16H18FN3O5/c1-3-16(10-4-6-11(17)7-5-10)14(23)20(15(24)19-16)9-12(21)18-8-13(22)25-2/h4-7H,3,8-9H2,1-2H3,(H,18,21)(H,19,24)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.5201 kcal/mol

Physical Properties
Molecular Weight: 351.334 g/mol	logS: -3.20709	SlogP: 0.5835	Reactive groups: 1

Topological Properties
Globularity: 0.0623614	Sterimol/B1: 2.54622	Sterimol/B2: 4.16798	Sterimol/B3: 4.18789
Sterimol/B4: 7.03337	Sterimol/L: 18.9795

Surface and Volume Properties
Accessible surface: 579.879	Positive charged surface: 362.329	Negative charged surface: 217.55	Volume: 307
Hydrophobic surface: 394.348	Hydrophilic surface: 185.531

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.