MMsINC Database Search


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

MMsINC code: MMs02451485

Type: Neutral
Formula: C₂₆H₁₆N₂O₄

SMILES:

O=C1N(CCN2C(=O)c3c4c(cccc4ccc3)C2=O)C(=O)c2c3c1cccc3ccc2

InChI:

InChI=1/C26H16N2O4/c29-23-17-9-1-5-15-6-2-10-18(21(15)17)24(30)27(23)13-14-28-25(31)19-11-3-7-16-8-4-12-20(22(16)19)26(28)32/h1-12H,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.0661 kcal/mol

Physical Properties
Molecular Weight: 420.424 g/mol	logS: -8.03468	SlogP: 3.8852	Reactive groups: 0

Topological Properties
Globularity: 0.00918571	Sterimol/B1: 2.44021	Sterimol/B2: 2.65633	Sterimol/B3: 2.79206
Sterimol/B4: 7.23936	Sterimol/L: 18.4663

Surface and Volume Properties
Accessible surface: 636.934	Positive charged surface: 330.957	Negative charged surface: 283.835	Volume: 373.875
Hydrophobic surface: 527.967	Hydrophilic surface: 108.967

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.