MMsINC Database Search


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MMsINC code: MMs01114667

Type: Neutral
Formula: C₂₀H₂₀N₂O₄

SMILES:

O=C1N(CCCOC)C(=O)c2c1cc(cc2)C(=O)Nc1ccccc1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.8798 kcal/mol

Physical Properties
Molecular Weight: 352.39 g/mol	logS: -4.4096	SlogP: 2.87982	Reactive groups: 0

Topological Properties
Globularity: 0.026094	Sterimol/B1: 2.36206	Sterimol/B2: 3.03063	Sterimol/B3: 4.11803
Sterimol/B4: 6.60366	Sterimol/L: 20.992

Surface and Volume Properties
Accessible surface: 634.866	Positive charged surface: 407.703	Negative charged surface: 227.163	Volume: 336.875
Hydrophobic surface: 519.458	Hydrophilic surface: 115.408

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.