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MMsINC code: MMs02908460

Type: Neutral
Formula: C₁₈H₁₆N₂O₄

SMILES:

O=C1N(Cc2ccccc2)C(=O)CC1Nc1ccc(cc1)C(O)=O

InChI:

InChI=1/C18H16N2O4/c21-16-10-15(19-14-8-6-13(7-9-14)18(23)24)17(22)20(16)11-12-4-2-1-3-5-12/h1-9,15,19H,10-11H2,(H,23,24)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.2748 kcal/mol

Physical Properties
Molecular Weight: 324.336 g/mol	logS: -3.40329	SlogP: 2.3908	Reactive groups: 0

Topological Properties
Globularity: 0.0529305	Sterimol/B1: 2.97713	Sterimol/B2: 3.19579	Sterimol/B3: 4.28503
Sterimol/B4: 6.90737	Sterimol/L: 16.9134

Surface and Volume Properties
Accessible surface: 560.315	Positive charged surface: 319.089	Negative charged surface: 241.225	Volume: 301.5
Hydrophobic surface: 382.527	Hydrophilic surface: 177.788

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

MMs02908461
PUBCHEM-ZINC02662422