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MMsINC code: MMs00451247

Type: Neutral
Formula: C₁₈H₁₆N₂O₄

SMILES:

O=C1N(C(Cc2ccccc2)C(O)=O)C(=O)N(c2c1cccc2)C

InChI:

InChI=1/C18H16N2O4/c1-19-14-10-6-5-9-13(14)16(21)20(18(19)24)15(17(22)23)11-12-7-3-2-4-8-12/h2-10,15H,11H2,1H3,(H,22,23)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.2728 kcal/mol

Physical Properties
Molecular Weight: 324.336 g/mol	logS: -3.55113	SlogP: 2.39447	Reactive groups: 0

Topological Properties
Globularity: 0.270477	Sterimol/B1: 2.41429	Sterimol/B2: 3.97204	Sterimol/B3: 6.31782
Sterimol/B4: 7.60638	Sterimol/L: 13.1795

Surface and Volume Properties
Accessible surface: 521.37	Positive charged surface: 307.003	Negative charged surface: 214.366	Volume: 298.375
Hydrophobic surface: 401.483	Hydrophilic surface: 119.887

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

MMs00451248
AURORAFEINCHEMIE-ZINC02133074