MMsINC Database Search


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MMsINC code: MMs01427616

Type: Neutral
Formula: C₂₀H₂₄N₂O₄

SMILES:

O(CC(=O)NC(COC)C)c1ccccc1C(=O)NCc1ccccc1

InChI:

InChI=1/C20H24N2O4/c1-15(13-25-2)22-19(23)14-26-18-11-7-6-10-17(18)20(24)21-12-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,21,24)(H,22,23)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.6017 kcal/mol

Physical Properties
Molecular Weight: 356.422 g/mol	logS: -3.99171	SlogP: 2.4129	Reactive groups: 0

Topological Properties
Globularity: 0.0318655	Sterimol/B1: 2.26654	Sterimol/B2: 2.41202	Sterimol/B3: 4.97574
Sterimol/B4: 8.68886	Sterimol/L: 21.2636

Surface and Volume Properties
Accessible surface: 682.134	Positive charged surface: 470.838	Negative charged surface: 211.295	Volume: 355.75
Hydrophobic surface: 577.759	Hydrophilic surface: 104.375

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.