MMsINC Database Search


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MMsINC code: MMs00646657

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(CC(=O)Nc1ccccc1C(=O)N)c1ccc(cc1)C(C)(C)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.202 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -6.83063	SlogP: 4.1289	Reactive groups: 0

Topological Properties
Globularity: 0.0652108	Sterimol/B1: 2.92465	Sterimol/B2: 3.54585	Sterimol/B3: 6.05146
Sterimol/B4: 6.6652	Sterimol/L: 18.8491

Surface and Volume Properties
Accessible surface: 674.174	Positive charged surface: 404.374	Negative charged surface: 269.799	Volume: 382
Hydrophobic surface: 508.427	Hydrophilic surface: 165.747

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

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Ions/Tautomers related molecules: no related molecules available.