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MMsINC code: MMs02261251

Type: Neutral
Formula: C₁₅H₁₃NO₄

SMILES:

O(C(=O)c1cc(Nc2ccccc2C(O)=O)ccc1)C

InChI:

InChI=1/C15H13NO4/c1-20-15(19)10-5-4-6-11(9-10)16-13-8-3-2-7-12(13)14(17)18/h2-9,16H,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.0184 kcal/mol

Physical Properties
Molecular Weight: 271.272 g/mol	logS: -3.35633	SlogP: 2.915	Reactive groups: 0

Topological Properties
Globularity: 0.0887375	Sterimol/B1: 3.13877	Sterimol/B2: 4.17213	Sterimol/B3: 4.40425
Sterimol/B4: 5.1702	Sterimol/L: 15.804

Surface and Volume Properties
Accessible surface: 495.443	Positive charged surface: 315.924	Negative charged surface: 179.518	Volume: 252.625
Hydrophobic surface: 360.586	Hydrophilic surface: 134.857

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs02261252
NCID-ZINC01610428