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MMsINC code: MMs03018067

Type: Neutral
Formula: C₁₇H₁₄N₂O₄

SMILES:

O(c1ccc(cc1)C1(C)C(=O)NC(=O)NC1=O)c1ccccc1

InChI:

InChI=1/C17H14N2O4/c1-17(14(20)18-16(22)19-15(17)21)11-7-9-13(10-8-11)23-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,19,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.8212 kcal/mol

Physical Properties
Molecular Weight: 310.309 g/mol	logS: -4.2162	SlogP: 2.1026	Reactive groups: 0

Topological Properties
Globularity: 0.115566	Sterimol/B1: 1.98711	Sterimol/B2: 3.82558	Sterimol/B3: 4.77225
Sterimol/B4: 5.94032	Sterimol/L: 15.4349

Surface and Volume Properties
Accessible surface: 513.807	Positive charged surface: 278.027	Negative charged surface: 235.78	Volume: 278
Hydrophobic surface: 330.518	Hydrophilic surface: 183.289

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.