MMsINC Database Search


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

MMsINC code: MMs01405607

Type: Neutral
Formula: C₂₆H₂₄N₂O₃

SMILES:

O(CCOC(=O)c1n(nc(c1)-c1ccccc1)-c1ccccc1)c1cc(ccc1)CC

InChI:

InChI=1/C26H24N2O3/c1-2-20-10-9-15-23(18-20)30-16-17-31-26(29)25-19-24(21-11-5-3-6-12-21)27-28(25)22-13-7-4-8-14-22/h3-15,18-19H,2,16-17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.678 kcal/mol

Physical Properties
Molecular Weight: 412.489 g/mol	logS: -7.30248	SlogP: 5.33747	Reactive groups: 0

Topological Properties
Globularity: 0.0667526	Sterimol/B1: 2.34682	Sterimol/B2: 3.21517	Sterimol/B3: 5.44118
Sterimol/B4: 8.53207	Sterimol/L: 19.6954

Surface and Volume Properties
Accessible surface: 695.663	Positive charged surface: 415.619	Negative charged surface: 280.044	Volume: 410.25
Hydrophobic surface: 612.911	Hydrophilic surface: 82.752

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.