MMsINC Database Search


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MMsINC code: MMs01857864

Type: Neutral
Formula: C₂₃H₁₆N₂O₄

SMILES:

O1c2c(C=C(c3ccc(cc3)C(=O)Nc3ccccc3C(=O)N)C1=O)cccc2

InChI:

InChI=1/C23H16N2O4/c24-21(26)17-6-2-3-7-19(17)25-22(27)15-11-9-14(10-12-15)18-13-16-5-1-4-8-20(16)29-23(18)28/h1-13H,(H2,24,26)(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.488 kcal/mol

Physical Properties
Molecular Weight: 384.391 g/mol	logS: -6.7706	SlogP: 3.4974	Reactive groups: 0

Topological Properties
Globularity: 0.0142061	Sterimol/B1: 2.36125	Sterimol/B2: 3.70202	Sterimol/B3: 4.01932
Sterimol/B4: 6.02984	Sterimol/L: 20.584

Surface and Volume Properties
Accessible surface: 641.222	Positive charged surface: 339.68	Negative charged surface: 301.542	Volume: 353.875
Hydrophobic surface: 464.489	Hydrophilic surface: 176.733

Pharmacophoric Properties
Hydrogen bond donors: 2	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.