MMsINC Database Search


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MMsINC code: MMs01698700

Type: Neutral
Formula: C₂₀H₂₀N₂O₄

SMILES:

O(CC)c1ccccc1NC(=O)Cn1cc(c2c1cccc2)C(OC)=O

InChI:

InChI=1/C20H20N2O4/c1-3-26-18-11-7-5-9-16(18)21-19(23)13-22-12-15(20(24)25-2)14-8-4-6-10-17(14)22/h4-12H,3,13H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.5902 kcal/mol

Physical Properties
Molecular Weight: 352.39 g/mol	logS: -4.32454	SlogP: 3.7317	Reactive groups: 0

Topological Properties
Globularity: 0.0939519	Sterimol/B1: 2.47905	Sterimol/B2: 4.41798	Sterimol/B3: 5.79885
Sterimol/B4: 6.58678	Sterimol/L: 17.6967

Surface and Volume Properties
Accessible surface: 640.016	Positive charged surface: 422.384	Negative charged surface: 212.43	Volume: 340.375
Hydrophobic surface: 532.394	Hydrophilic surface: 107.622

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.