MMsINC Database Search


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MMsINC code: MMs00920291

Type: Neutral
Formula: C₁₇H₁₄N₂O₃

SMILES:

o1nc(cc1-c1ccccc1O)C(=O)NCc1ccccc1

InChI:

InChI=1/C17H14N2O3/c20-15-9-5-4-8-13(15)16-10-14(19-22-16)17(21)18-11-12-6-2-1-3-7-12/h1-10,20H,11H2,(H,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.4709 kcal/mol

Physical Properties
Molecular Weight: 294.31 g/mol	logS: -4.13141	SlogP: 3.2436	Reactive groups: 0

Topological Properties
Globularity: 0.0381542	Sterimol/B1: 3.15841	Sterimol/B2: 3.2337	Sterimol/B3: 4.1543
Sterimol/B4: 4.80573	Sterimol/L: 18.2765

Surface and Volume Properties
Accessible surface: 553.482	Positive charged surface: 303.947	Negative charged surface: 249.534	Volume: 279.125
Hydrophobic surface: 426.092	Hydrophilic surface: 127.39

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.