MMsINC Database Search


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MMsINC code: MMs00594151

Type: Neutral
Formula: C₁₇H₁₄N₂O₂

SMILES:

O(C)c1ccc(cc1)C(=O)Nc1cc2c(nc1)cccc2

InChI:

InChI=1/C17H14N2O2/c1-21-15-8-6-12(7-9-15)17(20)19-14-10-13-4-2-3-5-16(13)18-11-14/h2-11H,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.3619 kcal/mol

Physical Properties
Molecular Weight: 278.311 g/mol	logS: -3.99379	SlogP: 3.4957	Reactive groups: 0

Topological Properties
Globularity: 0.0107147	Sterimol/B1: 2.49539	Sterimol/B2: 2.83537	Sterimol/B3: 3.69653
Sterimol/B4: 4.69762	Sterimol/L: 18.3498

Surface and Volume Properties
Accessible surface: 519.839	Positive charged surface: 326.445	Negative charged surface: 188.491	Volume: 269.25
Hydrophobic surface: 451.582	Hydrophilic surface: 68.257

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.