MMsINC Database Search


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MMsINC code: MMs01569531

Type: Neutral
Formula: C₂₄H₁₈N₂O₅

SMILES:

O=C1N(COC(=O)c2ccccc2NC(=O)Cc2ccccc2)C(=O)c2c1cccc2

InChI:

InChI=1/C24H18N2O5/c27-21(14-16-8-2-1-3-9-16)25-20-13-7-6-12-19(20)24(30)31-15-26-22(28)17-10-4-5-11-18(17)23(26)29/h1-13H,14-15H2,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.77 kcal/mol

Physical Properties
Molecular Weight: 414.417 g/mol	logS: -5.84776	SlogP: 3.27827	Reactive groups: 0

Topological Properties
Globularity: 0.0835256	Sterimol/B1: 3.66965	Sterimol/B2: 3.95175	Sterimol/B3: 4.121
Sterimol/B4: 8.34386	Sterimol/L: 19.3343

Surface and Volume Properties
Accessible surface: 686.665	Positive charged surface: 398.719	Negative charged surface: 287.947	Volume: 380.625
Hydrophobic surface: 563.407	Hydrophilic surface: 123.258

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.