MMsINC Database Search


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

MMsINC code: MMs01612452

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(CC(=O)Nc1ccc(cc1)CC)c1ccccc1C(=O)NCc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.363 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -6.33486	SlogP: 4.46287	Reactive groups: 0

Topological Properties
Globularity: 0.0272144	Sterimol/B1: 2.6766	Sterimol/B2: 2.68466	Sterimol/B3: 4.59157
Sterimol/B4: 9.21293	Sterimol/L: 21.6166

Surface and Volume Properties
Accessible surface: 721.104	Positive charged surface: 444.072	Negative charged surface: 277.033	Volume: 387.875
Hydrophobic surface: 613.315	Hydrophilic surface: 107.789

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.