MMsINC Database Search


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MMsINC code: MMs00986252

Type: Neutral
Formula: C₂₀H₂₀N₂O₄

SMILES:

O(CC)c1ccccc1NC(=O)COC1=CC(=O)N(c2c1cccc2)C

InChI:

InChI=1/C20H20N2O4/c1-3-25-17-11-7-5-9-15(17)21-19(23)13-26-18-12-20(24)22(2)16-10-6-4-8-14(16)18/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)=103.692 kcal/mol

Physical Properties
Molecular Weight: 352.39 g/mol	logS: -4.56963	SlogP: 3.0579	Reactive groups: 0

Topological Properties
Globularity: 0.01734	Sterimol/B1: 2.00429	Sterimol/B2: 2.33682	Sterimol/B3: 3.52013
Sterimol/B4: 8.56854	Sterimol/L: 17.1439

Surface and Volume Properties
Accessible surface: 630.101	Positive charged surface: 414.431	Negative charged surface: 215.67	Volume: 332.375
Hydrophobic surface: 517.467	Hydrophilic surface: 112.634

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.