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MMsINC code: MMs00861061

Type: Neutral
Formula: C₂₄H₁₇NO₄

SMILES:

O(c1ccc(NC(=O)c2ccccc2C(O)=O)cc1)c1cc2c(cc1)cccc2

InChI:

InChI=1/C24H17NO4/c26-23(21-7-3-4-8-22(21)24(27)28)25-18-10-13-19(14-11-18)29-20-12-9-16-5-1-2-6-17(16)15-20/h1-15H,(H,25,26)(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.566 kcal/mol

Physical Properties
Molecular Weight: 383.403 g/mol	logS: -6.98486	SlogP: 5.5826	Reactive groups: 0

Topological Properties
Globularity: 0.0533146	Sterimol/B1: 2.12009	Sterimol/B2: 4.47818	Sterimol/B3: 5.24586
Sterimol/B4: 6.41125	Sterimol/L: 20.0435

Surface and Volume Properties
Accessible surface: 656.853	Positive charged surface: 357.105	Negative charged surface: 288.927	Volume: 358.625
Hydrophobic surface: 544.619	Hydrophilic surface: 112.234

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00861062
CHEMDIV-ZINC00990675