MMsINC Database Search


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MMsINC code: MMs00986219

Type: Neutral
Formula: C₂₀H₂₀N₂O₄

SMILES:

O(C)c1ccccc1CNC(=O)COC1=CC(=O)N(c2c1cccc2)C

InChI:

InChI=1/C20H20N2O4/c1-22-16-9-5-4-8-15(16)18(11-20(22)24)26-13-19(23)21-12-14-7-3-6-10-17(14)25-2/h3-11H,12-13H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.1581 kcal/mol

Physical Properties
Molecular Weight: 352.39 g/mol	logS: -4.18646	SlogP: 2.6119	Reactive groups: 0

Topological Properties
Globularity: 0.0660252	Sterimol/B1: 2.6932	Sterimol/B2: 4.03371	Sterimol/B3: 5.4818
Sterimol/B4: 7.38519	Sterimol/L: 18.1984

Surface and Volume Properties
Accessible surface: 631.685	Positive charged surface: 424.008	Negative charged surface: 207.677	Volume: 337
Hydrophobic surface: 530.903	Hydrophilic surface: 100.782

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.