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MMsINC code: MMs01178546

Type: Neutral
Formula: C₁₇H₁₅N₃O₄

SMILES:

o1cc(cc1)C(=O)N(CC1=CNC(=O)NC1=O)c1ccccc1C

InChI:

InChI=1/C17H15N3O4/c1-11-4-2-3-5-14(11)20(16(22)12-6-7-24-10-12)9-13-8-18-17(23)19-15(13)21/h2-8,10H,9H2,1H3,(H2,18,19,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.8485 kcal/mol

Physical Properties
Molecular Weight: 325.324 g/mol	logS: -3.8401	SlogP: 1.95812	Reactive groups: 0

Topological Properties
Globularity: 0.277024	Sterimol/B1: 2.27192	Sterimol/B2: 4.36303	Sterimol/B3: 6.09971
Sterimol/B4: 6.26337	Sterimol/L: 12.7397

Surface and Volume Properties
Accessible surface: 507.013	Positive charged surface: 272.013	Negative charged surface: 235	Volume: 292.25
Hydrophobic surface: 331.661	Hydrophilic surface: 175.352

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.