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MMsINC code: MMs01734804

Type: Neutral
Formula: C₁₅H₂₀N₂O₄

SMILES:

OC(=O)CCC(=O)Nc1ccc(cc1)C(=O)NCC(C)C

InChI:

InChI=1/C15H20N2O4/c1-10(2)9-16-15(21)11-3-5-12(6-4-11)17-13(18)7-8-14(19)20/h3-6,10H,7-9H2,1-2H3,(H,16,21)(H,17,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.5216 kcal/mol

Physical Properties
Molecular Weight: 292.335 g/mol	logS: -2.22353	SlogP: 1.8757	Reactive groups: 0

Topological Properties
Globularity: 0.0219542	Sterimol/B1: 2.39404	Sterimol/B2: 2.44723	Sterimol/B3: 3.91484
Sterimol/B4: 5.37319	Sterimol/L: 20.2825

Surface and Volume Properties
Accessible surface: 569.149	Positive charged surface: 367.181	Negative charged surface: 201.968	Volume: 282.375
Hydrophobic surface: 345.398	Hydrophilic surface: 223.751

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs01734805
IBS-ZINC00319015