MMsINC Database Search


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MMsINC code: MMs01436232

Type: Neutral
Formula: C₁₅H₁₈FN₃O₅

SMILES:

Fc1cc(ccc1)C(=O)NCC(OCC(=O)NC(=O)NC(C)C)=O

InChI:

InChI=1/C15H18FN3O5/c1-9(2)18-15(23)19-12(20)8-24-13(21)7-17-14(22)10-4-3-5-11(16)6-10/h3-6,9H,7-8H2,1-2H3,(H,17,22)(H2,18,19,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.2586 kcal/mol

Physical Properties
Molecular Weight: 339.323 g/mol	logS: -3.28968	SlogP: 0.3329	Reactive groups: 1

Topological Properties
Globularity: 0.0115626	Sterimol/B1: 2.46864	Sterimol/B2: 3.70898	Sterimol/B3: 4.07022
Sterimol/B4: 4.88869	Sterimol/L: 21.6116

Surface and Volume Properties
Accessible surface: 619.586	Positive charged surface: 376.583	Negative charged surface: 243.004	Volume: 299.875
Hydrophobic surface: 384.329	Hydrophilic surface: 235.257

Pharmacophoric Properties
Hydrogen bond donors: 3	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.