MMsINC Database Search


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MMsINC code: MMs01616049

Type: Neutral
Formula: C₂₄H₂₀N₂O₄

SMILES:

O(C)c1ccccc1CNC(=O)c1cc(ccc1)CN1C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C24H20N2O4/c1-30-21-12-5-2-8-18(21)14-25-22(27)17-9-6-7-16(13-17)15-26-23(28)19-10-3-4-11-20(19)24(26)29/h2-13H,14-15H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.3665 kcal/mol

Physical Properties
Molecular Weight: 400.434 g/mol	logS: -5.66704	SlogP: 3.9542	Reactive groups: 0

Topological Properties
Globularity: 0.0643014	Sterimol/B1: 2.72923	Sterimol/B2: 3.38462	Sterimol/B3: 4.89662
Sterimol/B4: 7.00362	Sterimol/L: 18.9458

Surface and Volume Properties
Accessible surface: 687.628	Positive charged surface: 414.593	Negative charged surface: 273.035	Volume: 380.125
Hydrophobic surface: 564.035	Hydrophilic surface: 123.593

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.