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MMsINC code: MMs03030297

Type: Neutral
Formula: C₁₅H₂₀N₂O₄

SMILES:

OC(=O)CC(NC(=O)c1ccccc1)C(=O)N(CC)CC

InChI:

InChI=1/C15H20N2O4/c1-3-17(4-2)15(21)12(10-13(18)19)16-14(20)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,16,20)(H,18,19)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.2839 kcal/mol

Physical Properties
Molecular Weight: 292.335 g/mol	logS: -2.12977	SlogP: 1.1281	Reactive groups: 0

Topological Properties
Globularity: 0.135224	Sterimol/B1: 2.94341	Sterimol/B2: 3.50382	Sterimol/B3: 5.50201
Sterimol/B4: 6.2362	Sterimol/L: 15.0834

Surface and Volume Properties
Accessible surface: 530.267	Positive charged surface: 323.092	Negative charged surface: 207.175	Volume: 284.75
Hydrophobic surface: 359.079	Hydrophilic surface: 171.188

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs03030298
PUBCHEM-ZINC03638003