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MMsINC code: MMs02637697

Type: Neutral
Formula: C₁₅H₁₈N₂O₄

SMILES:

O(CC)c1cc2c([nH]c(C(O)=O)c2CCNC(=O)C)cc1

InChI:

InChI=1/C15H18N2O4/c1-3-21-10-4-5-13-12(8-10)11(6-7-16-9(2)18)14(17-13)15(19)20/h4-5,8,17H,3,6-7H2,1-2H3,(H,16,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.3141 kcal/mol

Physical Properties
Molecular Weight: 290.319 g/mol	logS: -2.38965	SlogP: 1.94337	Reactive groups: 0

Topological Properties
Globularity: 0.0399189	Sterimol/B1: 2.86662	Sterimol/B2: 2.91384	Sterimol/B3: 3.79054
Sterimol/B4: 8.80101	Sterimol/L: 15.5567

Surface and Volume Properties
Accessible surface: 550.656	Positive charged surface: 359.105	Negative charged surface: 186.829	Volume: 275
Hydrophobic surface: 345.946	Hydrophilic surface: 204.71

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

MMs02637698
PUBCHEM-ZINC00187818