MMsINC Database Search


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MMsINC code: MMs01114652

Type: Neutral
Formula: C₁₉H₁₈N₂O₄

SMILES:

O=C1N(CCCOC)C(=O)c2c1cc(cc2)C(=O)Nc1ccccc1

InChI:

InChI=1/C19H18N2O4/c1-25-11-5-10-21-18(23)15-9-8-13(12-16(15)19(21)24)17(22)20-14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.5107 kcal/mol

Physical Properties
Molecular Weight: 338.363 g/mol	logS: -4.24913	SlogP: 2.5714	Reactive groups: 0

Topological Properties
Globularity: 0.0178194	Sterimol/B1: 2.40852	Sterimol/B2: 3.39808	Sterimol/B3: 4.26567
Sterimol/B4: 5.62821	Sterimol/L: 21.0476

Surface and Volume Properties
Accessible surface: 612.106	Positive charged surface: 388.068	Negative charged surface: 224.037	Volume: 320.5
Hydrophobic surface: 487.974	Hydrophilic surface: 124.132

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.