MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00181434

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

O(C)c1ccc(cc1)-c1n(nc(c1)-c1ccc(OC)cc1)-c1ccccc1

InChI:

InChI=1/C23H20N2O2/c1-26-20-12-8-17(9-13-20)22-16-23(18-10-14-21(27-2)15-11-18)25(24-22)19-6-4-3-5-7-19/h3-16H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.429 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -6.42991	SlogP: 5.2235	Reactive groups: 0

Topological Properties
Globularity: 0.0211947	Sterimol/B1: 2.80358	Sterimol/B2: 3.17722	Sterimol/B3: 4.59376
Sterimol/B4: 8.34184	Sterimol/L: 18.2481

Surface and Volume Properties
Accessible surface: 632.917	Positive charged surface: 405.367	Negative charged surface: 227.55	Volume: 354
Hydrophobic surface: 590.013	Hydrophilic surface: 42.904

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.