MMsINC Database Search


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

MMsINC code: MMs01544116

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

O(C)c1cc(NC(=O)C(OC(=O)c2ccc(N(C)C)cc2)c2ccccc2)ccc1

InChI:

InChI=1/C24H24N2O4/c1-26(2)20-14-12-18(13-15-20)24(28)30-22(17-8-5-4-6-9-17)23(27)25-19-10-7-11-21(16-19)29-3/h4-16,22H,1-3H3,(H,25,27)/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.215 kcal/mol

Physical Properties
Molecular Weight: 404.466 g/mol	logS: -5.50873	SlogP: 4.3935	Reactive groups: 0

Topological Properties
Globularity: 0.0675345	Sterimol/B1: 3.1767	Sterimol/B2: 3.79395	Sterimol/B3: 5.11618
Sterimol/B4: 8.56603	Sterimol/L: 20.8234

Surface and Volume Properties
Accessible surface: 722.332	Positive charged surface: 481.657	Negative charged surface: 240.676	Volume: 396.125
Hydrophobic surface: 653.13	Hydrophilic surface: 69.202

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.