MMsINC Database Search


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MMsINC code: MMs01237869

Type: Neutral
Formula: C₂₃H₂₀N₂O₃

SMILES:

O(CCN1C(=O)C(NC1=O)(c1ccccc1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H20N2O3/c26-21-23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)24-22(27)25(21)16-17-28-20-14-8-3-9-15-20/h1-15H,16-17H2,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.6206 kcal/mol

Physical Properties
Molecular Weight: 372.424 g/mol	logS: -5.41501	SlogP: 3.8725	Reactive groups: 0

Topological Properties
Globularity: 0.151031	Sterimol/B1: 2.54382	Sterimol/B2: 3.53086	Sterimol/B3: 4.23268
Sterimol/B4: 8.94287	Sterimol/L: 17.1791

Surface and Volume Properties
Accessible surface: 634.766	Positive charged surface: 354.782	Negative charged surface: 279.984	Volume: 360.625
Hydrophobic surface: 572.384	Hydrophilic surface: 62.382

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.