MMsINC Database Search


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MMsINC code: MMs00526866

Type: Neutral
Formula: C₂₃H₁₉NO₄

SMILES:

O1CCOc2cc(NC(=O)c3ccc(cc3)C)c(cc12)C(=O)c1ccccc1

InChI:

InChI=1/C23H19NO4/c1-15-7-9-17(10-8-15)23(26)24-19-14-21-20(27-11-12-28-21)13-18(19)22(25)16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.918 kcal/mol

Physical Properties
Molecular Weight: 373.408 g/mol	logS: -6.1512	SlogP: 4.24952	Reactive groups: 0

Topological Properties
Globularity: 0.0917793	Sterimol/B1: 3.00988	Sterimol/B2: 3.86106	Sterimol/B3: 4.84635
Sterimol/B4: 8.67475	Sterimol/L: 17.0972

Surface and Volume Properties
Accessible surface: 632.26	Positive charged surface: 381.749	Negative charged surface: 250.511	Volume: 356.25
Hydrophobic surface: 557.182	Hydrophilic surface: 75.078

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.