MMsINC Database Search


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

MMsINC code: MMs01609978

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(CC)c1ccccc1C(=O)NCC(=O)NC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H24N2O3/c1-2-29-21-16-10-9-15-20(21)24(28)25-17-22(27)26-23(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-16,23H,2,17H2,1H3,(H,25,28)(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.041 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -5.61697	SlogP: 3.8164	Reactive groups: 0

Topological Properties
Globularity: 0.0865043	Sterimol/B1: 2.56166	Sterimol/B2: 3.93145	Sterimol/B3: 5.64689
Sterimol/B4: 8.3451	Sterimol/L: 18.0242

Surface and Volume Properties
Accessible surface: 708.695	Positive charged surface: 428.871	Negative charged surface: 279.824	Volume: 387.75
Hydrophobic surface: 610.348	Hydrophilic surface: 98.347

Pharmacophoric Properties
Hydrogen bond donors: 2	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.