MMsINC Database Search


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MMsINC code: MMs01270813

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

O(CC(=O)NCCc1ccc(OC)cc1)c1ccccc1C(=O)Nc1ccccc1

InChI:

InChI=1/C24H24N2O4/c1-29-20-13-11-18(12-14-20)15-16-25-23(27)17-30-22-10-6-5-9-21(22)24(28)26-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.405 kcal/mol

Physical Properties
Molecular Weight: 404.466 g/mol	logS: -5.45757	SlogP: 3.68517	Reactive groups: 0

Topological Properties
Globularity: 0.0259211	Sterimol/B1: 2.56309	Sterimol/B2: 4.78758	Sterimol/B3: 5.06524
Sterimol/B4: 9.0991	Sterimol/L: 20.4257

Surface and Volume Properties
Accessible surface: 743.068	Positive charged surface: 477.086	Negative charged surface: 265.982	Volume: 396.75
Hydrophobic surface: 651.732	Hydrophilic surface: 91.336

Pharmacophoric Properties
Hydrogen bond donors: 2	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.