MMsINC Database Search


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

MMsINC code: MMs00578509

Type: Neutral
Formula: C₂₄H₁₈N₂O₄

SMILES:

O(C(=O)c1ccccc1NC(=O)C(=O)c1n2c(cc1-c1ccccc1)C=CC=C2)C

InChI:

InChI=1/C24H18N2O4/c1-30-24(29)18-12-5-6-13-20(18)25-23(28)22(27)21-19(16-9-3-2-4-10-16)15-17-11-7-8-14-26(17)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)=125.25 kcal/mol

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

Topological Properties
Globularity: 0.168647	Sterimol/B1: 2.44109	Sterimol/B2: 5.64656	Sterimol/B3: 6.34794
Sterimol/B4: 6.55685	Sterimol/L: 16.266

Surface and Volume Properties
Accessible surface: 660.915	Positive charged surface: 383.021	Negative charged surface: 277.894	Volume: 375.125
Hydrophobic surface: 588.746	Hydrophilic surface: 72.169

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.