MMsINC Database Search


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MMsINC code: MMs01805623

Type: Neutral
Formula: C₂₂H₁₈N₂O₄

SMILES:

o1c2c(nc1-c1cc(NC(=O)c3ccc(OC)cc3)ccc1)cc(OC)cc2

InChI:

InChI=1/C22H18N2O4/c1-26-17-8-6-14(7-9-17)21(25)23-16-5-3-4-15(12-16)22-24-19-13-18(27-2)10-11-20(19)28-22/h3-13H,1-2H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.81 kcal/mol

Physical Properties
Molecular Weight: 374.396 g/mol	logS: -6.7713	SlogP: 4.7643	Reactive groups: 0

Topological Properties
Globularity: 0.0123621	Sterimol/B1: 2.50331	Sterimol/B2: 3.05682	Sterimol/B3: 3.8254
Sterimol/B4: 8.37835	Sterimol/L: 21.9669

Surface and Volume Properties
Accessible surface: 654.631	Positive charged surface: 424.716	Negative charged surface: 229.915	Volume: 352.625
Hydrophobic surface: 558.149	Hydrophilic surface: 96.482

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: 1

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Ions/Tautomers related molecules: no related molecules available.