MMsINC Database Search


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MMsINC code: MMs01241385

Type: Neutral
Formula: C₁₇H₁₄N₂O₃

SMILES:

O=C1N(CC(=O)NCc2ccccc2)C(=O)c2c1cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.9241 kcal/mol

Physical Properties
Molecular Weight: 294.31 g/mol	logS: -3.8752	SlogP: 1.8654	Reactive groups: 0

Topological Properties
Globularity: 0.031005	Sterimol/B1: 3.09919	Sterimol/B2: 3.31515	Sterimol/B3: 3.99714
Sterimol/B4: 3.99777	Sterimol/L: 17.8759

Surface and Volume Properties
Accessible surface: 547.875	Positive charged surface: 301.998	Negative charged surface: 245.877	Volume: 275.125
Hydrophobic surface: 416.271	Hydrophilic surface: 131.604

Pharmacophoric Properties
Hydrogen bond donors: 1	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.