MMsINC Database Search


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MMsINC code: MMs01960609

Type: Neutral
Formula: C₂₃H₂₀N₂O₄

SMILES:

o1ccc(C(=O)N(CC2=CC(=O)Nc3c2cccc3)C)c1COc1ccccc1

InChI:

InChI=1/C23H20N2O4/c1-25(14-16-13-22(26)24-20-10-6-5-9-18(16)20)23(27)19-11-12-28-21(19)15-29-17-7-3-2-4-8-17/h2-13H,14-15H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.9 kcal/mol

Physical Properties
Molecular Weight: 388.423 g/mol	logS: -5.62911	SlogP: 4.2327	Reactive groups: 0

Topological Properties
Globularity: 0.0968664	Sterimol/B1: 4.02304	Sterimol/B2: 4.02896	Sterimol/B3: 4.20164
Sterimol/B4: 8.06881	Sterimol/L: 16.2827

Surface and Volume Properties
Accessible surface: 640.391	Positive charged surface: 360.5	Negative charged surface: 279.891	Volume: 366.125
Hydrophobic surface: 520.646	Hydrophilic surface: 119.745

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.