MMsINC Database Search


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MMsINC code: MMs01463371

Type: Neutral
Formula: C₁₉H₂₁NO₄

SMILES:

O(CC(OCC(=O)NCc1ccccc1)=O)c1cccc(C)c1C

InChI:

InChI=1/C19H21NO4/c1-14-7-6-10-17(15(14)2)23-13-19(22)24-12-18(21)20-11-16-8-4-3-5-9-16/h3-10H,11-13H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.2627 kcal/mol

Physical Properties
Molecular Weight: 327.38 g/mol	logS: -4.41829	SlogP: 2.80824	Reactive groups: 1

Topological Properties
Globularity: 0.0206005	Sterimol/B1: 3.0401	Sterimol/B2: 3.61264	Sterimol/B3: 3.62328
Sterimol/B4: 5.7155	Sterimol/L: 21.5076

Surface and Volume Properties
Accessible surface: 640.321	Positive charged surface: 392.542	Negative charged surface: 247.779	Volume: 326
Hydrophobic surface: 539.954	Hydrophilic surface: 100.367

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.