MMsINC Database Search


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MMsINC code: MMs00809584

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

O(C)c1cc(ccc1OC)C/C(=N\OC(=O)C(c1ccccc1)c1ccccc1)/N

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=170.711 kcal/mol

Physical Properties
Molecular Weight: 404.466 g/mol	logS: -5.79439	SlogP: 3.89377	Reactive groups: 0

Topological Properties
Globularity: 0.225837	Sterimol/B1: 2.30262	Sterimol/B2: 4.37808	Sterimol/B3: 7.50178
Sterimol/B4: 8.4346	Sterimol/L: 14.3446

Surface and Volume Properties
Accessible surface: 713.307	Positive charged surface: 496.143	Negative charged surface: 217.164	Volume: 394.75
Hydrophobic surface: 614.975	Hydrophilic surface: 98.332

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.