MMsINC Database Search


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

MMsINC code: MMs00642452

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(CC)c1ccc(NC(=O)c2cc(nc3c2cccc3)-c2ccccc2)cc1

InChI:

InChI=1/C24H20N2O2/c1-2-28-19-14-12-18(13-15-19)25-24(27)21-16-23(17-8-4-3-5-9-17)26-22-11-7-6-10-20(21)22/h3-16H,2H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.124 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -6.71618	SlogP: 5.5528	Reactive groups: 0

Topological Properties
Globularity: 0.0160003	Sterimol/B1: 2.63713	Sterimol/B2: 3.58048	Sterimol/B3: 5.69541
Sterimol/B4: 7.51579	Sterimol/L: 19.6296

Surface and Volume Properties
Accessible surface: 663.707	Positive charged surface: 374.989	Negative charged surface: 277.557	Volume: 365
Hydrophobic surface: 585.91	Hydrophilic surface: 77.797

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.