MMsINC Database Search


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MMsINC code: MMs01364780

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

O(C)c1cc(OC)ccc1\C=N\OCC(=O)NC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H24N2O4/c1-28-21-14-13-20(22(15-21)29-2)16-25-30-17-23(27)26-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,24H,17H2,1-2H3,(H,26,27)/b25-16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.853 kcal/mol

Physical Properties
Molecular Weight: 404.466 g/mol	logS: -5.42767	SlogP: 4.0556	Reactive groups: 0

Topological Properties
Globularity: 0.0578666	Sterimol/B1: 3.84884	Sterimol/B2: 5.02719	Sterimol/B3: 5.49308
Sterimol/B4: 5.60965	Sterimol/L: 20.9201

Surface and Volume Properties
Accessible surface: 737.109	Positive charged surface: 501.229	Negative charged surface: 235.88	Volume: 397.375
Hydrophobic surface: 656.199	Hydrophilic surface: 80.91

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.