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MMsINC code: MMs00491061

Type: Neutral
Formula: C₁₅H₁₃NO₃

SMILES:

OC(=O)c1ccccc1NC(=O)c1cc(ccc1)C

InChI:

InChI=1/C15H13NO3/c1-10-5-4-6-11(9-10)14(17)16-13-8-3-2-7-12(13)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.8768 kcal/mol

Physical Properties
Molecular Weight: 255.273 g/mol	logS: -3.79819	SlogP: 2.94552	Reactive groups: 0

Topological Properties
Globularity: 0.0225697	Sterimol/B1: 2.22954	Sterimol/B2: 3.19355	Sterimol/B3: 3.58247
Sterimol/B4: 6.1358	Sterimol/L: 14.6028

Surface and Volume Properties
Accessible surface: 476.632	Positive charged surface: 269.418	Negative charged surface: 207.214	Volume: 241.875
Hydrophobic surface: 360.772	Hydrophilic surface: 115.86

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

MMs00491062
CHEMBLOCK-ZINC00058351