MMsINC Database Search


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

MMsINC code: MMs01810530

Type: Neutral
Formula: C₂₄H₂₀N₂O₃

SMILES:

O(Cc1ccccc1)c1cc(O)c(cc1)-c1ncncc1-c1ccc(OC)cc1

InChI:

InChI=1/C24H20N2O3/c1-28-19-9-7-18(8-10-19)22-14-25-16-26-24(22)21-12-11-20(13-23(21)27)29-15-17-5-3-2-4-6-17/h2-14,16,27H,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.241 kcal/mol

Physical Properties
Molecular Weight: 384.435 g/mol	logS: -6.61601	SlogP: 5.3702	Reactive groups: 0

Topological Properties
Globularity: 0.0738797	Sterimol/B1: 2.51657	Sterimol/B2: 3.06795	Sterimol/B3: 4.40659
Sterimol/B4: 10.7059	Sterimol/L: 17.4151

Surface and Volume Properties
Accessible surface: 653.69	Positive charged surface: 435.393	Negative charged surface: 213.43	Volume: 374
Hydrophobic surface: 534.581	Hydrophilic surface: 119.109

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.