MMsINC Database Search


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

MMsINC code: MMs00640743

Type: Neutral
Formula: C₂₃H₁₈N₂O₄

SMILES:

O1C(=Nc2c(cccc2)C1=O)c1cc(NC(=O)COc2ccc(cc2)C)ccc1

InChI:

InChI=1/C23H18N2O4/c1-15-9-11-18(12-10-15)28-14-21(26)24-17-6-4-5-16(13-17)22-25-20-8-3-2-7-19(20)23(27)29-22/h2-13H,14H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.96 kcal/mol

Physical Properties
Molecular Weight: 386.407 g/mol	logS: -7.03589	SlogP: 4.26122	Reactive groups: 0

Topological Properties
Globularity: 0.00853529	Sterimol/B1: 2.43361	Sterimol/B2: 3.08478	Sterimol/B3: 3.97683
Sterimol/B4: 7.82159	Sterimol/L: 21.3594

Surface and Volume Properties
Accessible surface: 682.264	Positive charged surface: 384.391	Negative charged surface: 297.874	Volume: 361.25
Hydrophobic surface: 559.817	Hydrophilic surface: 122.447

Pharmacophoric Properties
Hydrogen bond donors: 1	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.