MMsINC Database Search


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MMsINC code: MMs00142669

Type: Neutral
Formula: C₂₀H₁₈N₂O₅

SMILES:

OC=1c2c(N(CC)C(=O)C=1C(=O)Nc1ccccc1C(OC)=O)cccc2

InChI:

InChI=1/C20H18N2O5/c1-3-22-15-11-7-5-9-13(15)17(23)16(19(22)25)18(24)21-14-10-6-4-8-12(14)20(26)27-2/h4-11,23H,3H2,1-2H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.494 kcal/mol

Physical Properties
Molecular Weight: 366.373 g/mol	logS: -4.49824	SlogP: 2.7475	Reactive groups: 0

Topological Properties
Globularity: 0.152165	Sterimol/B1: 2.17455	Sterimol/B2: 4.02687	Sterimol/B3: 6.25121
Sterimol/B4: 7.00258	Sterimol/L: 15.9481

Surface and Volume Properties
Accessible surface: 609.422	Positive charged surface: 382.311	Negative charged surface: 227.111	Volume: 335.625
Hydrophobic surface: 474.573	Hydrophilic surface: 134.849

Pharmacophoric Properties
Hydrogen bond donors: 2	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.