MMsINC Database Search


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MMsINC code: MMs00675834

Type: Neutral
Formula: C₂₄H₁₈N₂O₃

SMILES:

O1CCOc2c1cc(NC(=O)c1cc(nc3c1cccc3)-c1ccccc1)cc2

InChI:

InChI=1/C24H18N2O3/c27-24(25-17-10-11-22-23(14-17)29-13-12-28-22)19-15-21(16-6-2-1-3-7-16)26-20-9-5-4-8-18(19)20/h1-11,14-15H,12-13H2,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.772 kcal/mol

Physical Properties
Molecular Weight: 382.419 g/mol	logS: -6.58819	SlogP: 4.9253	Reactive groups: 0

Topological Properties
Globularity: 0.0160499	Sterimol/B1: 2.5576	Sterimol/B2: 2.72525	Sterimol/B3: 3.46292
Sterimol/B4: 10.4283	Sterimol/L: 18.7795

Surface and Volume Properties
Accessible surface: 649.093	Positive charged surface: 384.575	Negative charged surface: 253.703	Volume: 360.875
Hydrophobic surface: 582.217	Hydrophilic surface: 66.876

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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: 0

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Ions/Tautomers related molecules: no related molecules available.