MMsINC Database Search


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MMsINC code: MMs01419426

Type: Neutral
Formula: C₂₀H₂₀N₂O₅

SMILES:

O(C)c1c(OC)cc(NC(=O)COc2c3ncccc3ccc2)cc1OC

InChI:

InChI=1/C20H20N2O5/c1-24-16-10-14(11-17(25-2)20(16)26-3)22-18(23)12-27-15-8-4-6-13-7-5-9-21-19(13)15/h4-11H,12H2,1-3H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.261 kcal/mol

Physical Properties
Molecular Weight: 368.389 g/mol	logS: -4.17137	SlogP: 3.2781	Reactive groups: 0

Topological Properties
Globularity: 0.0278639	Sterimol/B1: 2.499	Sterimol/B2: 2.53981	Sterimol/B3: 3.88501
Sterimol/B4: 8.37246	Sterimol/L: 18.9947

Surface and Volume Properties
Accessible surface: 641.964	Positive charged surface: 488.33	Negative charged surface: 149.193	Volume: 346
Hydrophobic surface: 553.549	Hydrophilic surface: 88.415

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	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.