MMsINC Database Search


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

MMsINC code: MMs01838281

Type: Neutral
Formula: C₂₃H₂₀N₂O₄

SMILES:

O(c1ccccc1OCC)c1nc(nc2c1cccc2)-c1cccc(OC)c1O

InChI:

InChI=1/C23H20N2O4/c1-3-28-18-12-6-7-13-19(18)29-23-15-9-4-5-11-17(15)24-22(25-23)16-10-8-14-20(27-2)21(16)26/h4-14,26H,3H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.157 kcal/mol

Physical Properties
Molecular Weight: 388.423 g/mol	logS: -6.98007	SlogP: 5.202	Reactive groups: 0

Topological Properties
Globularity: 0.123811	Sterimol/B1: 2.40391	Sterimol/B2: 3.78365	Sterimol/B3: 6.61639
Sterimol/B4: 9.60658	Sterimol/L: 16.4095

Surface and Volume Properties
Accessible surface: 683.361	Positive charged surface: 441.316	Negative charged surface: 234.159	Volume: 368.875
Hydrophobic surface: 588.683	Hydrophilic surface: 94.678

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.