MMsINC Database Search


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

MMsINC code: MMs00698294

Type: Neutral
Formula: C₂₄H₁₈N₂O₄

SMILES:

O(C(=O)c1ccc(NC(=O)C(=O)c2n3c(cc2-c2ccccc2)C=CC=C3)cc1)C

InChI:

InChI=1/C24H18N2O4/c1-30-24(29)17-10-12-18(13-11-17)25-23(28)22(27)21-20(16-7-3-2-4-8-16)15-19-9-5-6-14-26(19)21/h2-15H,1H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.032 kcal/mol

Physical Properties
Molecular Weight: 398.418 g/mol	logS: -6.03819	SlogP: 4.2606	Reactive groups: 0

Topological Properties
Globularity: 0.0868161	Sterimol/B1: 2.80249	Sterimol/B2: 5.06702	Sterimol/B3: 6.05857
Sterimol/B4: 7.6603	Sterimol/L: 18.1225

Surface and Volume Properties
Accessible surface: 674.172	Positive charged surface: 380.849	Negative charged surface: 293.323	Volume: 374.5
Hydrophobic surface: 575.459	Hydrophilic surface: 98.713

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.