MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00607504

Type: Neutral
Formula: C₁₉H₁₅NO₄

SMILES:

O(C)c1ccc(cc1)C(=O)COC(=O)c1nc2c(cc1)cccc2

InChI:

InChI=1/C19H15NO4/c1-23-15-9-6-14(7-10-15)18(21)12-24-19(22)17-11-8-13-4-2-3-5-16(13)20-17/h2-11H,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.489 kcal/mol

Physical Properties
Molecular Weight: 321.332 g/mol	logS: -4.6577	SlogP: 3.2831	Reactive groups: 0

Topological Properties
Globularity: 0.0030041	Sterimol/B1: 2.37509	Sterimol/B2: 2.3773	Sterimol/B3: 3.96084
Sterimol/B4: 5.1783	Sterimol/L: 20.3351

Surface and Volume Properties
Accessible surface: 589.86	Positive charged surface: 342.593	Negative charged surface: 241.731	Volume: 305.125
Hydrophobic surface: 476.581	Hydrophilic surface: 113.279

Pharmacophoric Properties
Hydrogen bond donors: 0	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.