MMsINC Database Search


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MMsINC code: MMs01898894

Type: Neutral
Formula: C₂₃H₁₈N₂O₄

SMILES:

O1C(=Nc2c(cccc2)C1=O)c1ccc(NC(=O)COc2ccccc2C)cc1

InChI:

InChI=1/C23H18N2O4/c1-15-6-2-5-9-20(15)28-14-21(26)24-17-12-10-16(11-13-17)22-25-19-8-4-3-7-18(19)23(27)29-22/h2-13H,14H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.98 kcal/mol

Physical Properties
Molecular Weight: 386.407 g/mol	logS: -6.72244	SlogP: 4.26122	Reactive groups: 0

Topological Properties
Globularity: 0.00770841	Sterimol/B1: 2.33163	Sterimol/B2: 2.57197	Sterimol/B3: 3.32769
Sterimol/B4: 7.47059	Sterimol/L: 22.3292

Surface and Volume Properties
Accessible surface: 670.886	Positive charged surface: 383.825	Negative charged surface: 287.062	Volume: 360.625
Hydrophobic surface: 552.936	Hydrophilic surface: 117.95

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.