MMsINC Database Search


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MMsINC code: MMs00811059

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(C)c1ccccc1C/C(=N\OC(=O)CC(c1ccccc1)c1ccccc1)/N

InChI:

InChI=1/C24H24N2O3/c1-28-22-15-9-8-14-20(22)16-23(25)26-29-24(27)17-21(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,21H,16-17H2,1H3,(H2,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.924 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -5.62593	SlogP: 4.27527	Reactive groups: 0

Topological Properties
Globularity: 0.186551	Sterimol/B1: 2.02357	Sterimol/B2: 2.60147	Sterimol/B3: 7.10836
Sterimol/B4: 8.18705	Sterimol/L: 16.0399

Surface and Volume Properties
Accessible surface: 701.034	Positive charged surface: 467.946	Negative charged surface: 233.087	Volume: 386.75
Hydrophobic surface: 616.047	Hydrophilic surface: 84.987

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

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Ions/Tautomers related molecules: no related molecules available.