MMsINC Database Search


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MMsINC code: MMs03155746

Type: Neutral
Formula: C₁₉H₂₁NO₄

SMILES:

O(CCCC)c1cc(ccc1)C(=O)Nc1ccccc1C(OC)=O

InChI:

InChI=1/C19H21NO4/c1-3-4-12-24-15-9-7-8-14(13-15)18(21)20-17-11-6-5-10-16(17)19(22)23-2/h5-11,13H,3-4,12H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.772 kcal/mol

Physical Properties
Molecular Weight: 327.38 g/mol	logS: -4.83118	SlogP: 3.9044	Reactive groups: 0

Topological Properties
Globularity: 0.0180816	Sterimol/B1: 2.53405	Sterimol/B2: 3.64752	Sterimol/B3: 5.22457
Sterimol/B4: 5.64184	Sterimol/L: 19.2323

Surface and Volume Properties
Accessible surface: 620.517	Positive charged surface: 420.983	Negative charged surface: 199.533	Volume: 324.125
Hydrophobic surface: 532.014	Hydrophilic surface: 88.503

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.