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MMsINC code: MMs00119581

Type: Neutral
Formula: C₁₇H₁₅NO₄

SMILES:

OC(=O)c1ccc(NC(=O)CCC(=O)c2ccccc2)cc1

InChI:

InChI=1/C17H15NO4/c19-15(12-4-2-1-3-5-12)10-11-16(20)18-14-8-6-13(7-9-14)17(21)22/h1-9H,10-11H2,(H,18,20)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.6839 kcal/mol

Physical Properties
Molecular Weight: 297.31 g/mol	logS: -3.41946	SlogP: 2.9864	Reactive groups: 0

Topological Properties
Globularity: 0.012175	Sterimol/B1: 2.38724	Sterimol/B2: 2.9432	Sterimol/B3: 3.13036
Sterimol/B4: 5.35401	Sterimol/L: 18.7379

Surface and Volume Properties
Accessible surface: 549.388	Positive charged surface: 314.263	Negative charged surface: 235.125	Volume: 278.625
Hydrophobic surface: 377.559	Hydrophilic surface: 171.829

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs00119582
ASINEX-ZINC00330930