MMsINC Database Search


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

MMsINC code: MMs01246820

Type: Neutral
Formula: C₂₄H₂₁NO₄

SMILES:

O(C(=O)c1ccccc1C(=O)c1ccccc1)CC(=O)Nc1cc(ccc1C)C

InChI:

InChI=1/C24H21NO4/c1-16-12-13-17(2)21(14-16)25-22(26)15-29-24(28)20-11-7-6-10-19(20)23(27)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.023 kcal/mol

Physical Properties
Molecular Weight: 387.435 g/mol	logS: -6.47024	SlogP: 4.32994	Reactive groups: 0

Topological Properties
Globularity: 0.040159	Sterimol/B1: 3.72446	Sterimol/B2: 4.03463	Sterimol/B3: 4.29233
Sterimol/B4: 8.08526	Sterimol/L: 16.9794

Surface and Volume Properties
Accessible surface: 681.465	Positive charged surface: 391.295	Negative charged surface: 290.17	Volume: 375.375
Hydrophobic surface: 600.983	Hydrophilic surface: 80.482

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.