MMsINC Database Search


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MMsINC code: MMs01540530

Type: Neutral
Formula: C₂₂H₁₈N₂O₄

SMILES:

O1c2cc(ccc2OC1)CN1C(=O)C(NC1=O)(C)c1c2c(ccc1)cccc2

InChI:

InChI=1/C22H18N2O4/c1-22(17-8-4-6-15-5-2-3-7-16(15)17)20(25)24(21(26)23-22)12-14-9-10-18-19(11-14)28-13-27-18/h2-11H,12-13H2,1H3,(H,23,26)/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.1612 kcal/mol

Physical Properties
Molecular Weight: 374.396 g/mol	logS: -5.73048	SlogP: 4.1136	Reactive groups: 0

Topological Properties
Globularity: 0.241414	Sterimol/B1: 2.97264	Sterimol/B2: 3.74485	Sterimol/B3: 6.14266
Sterimol/B4: 7.90134	Sterimol/L: 13.0795

Surface and Volume Properties
Accessible surface: 585.812	Positive charged surface: 354.63	Negative charged surface: 224.389	Volume: 340.75
Hydrophobic surface: 437.779	Hydrophilic surface: 148.033

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.