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MMsINC code: MMs03807505

Type: Ionized
Formula: C₁₉H₁₉N₂O₄-

SMILES:

O=C([O-])c1ccccc1NC(=O)CCCCC(=O)Nc1ccccc1

InChI:

InChI=1/C19H20N2O4/c22-17(20-14-8-2-1-3-9-14)12-6-7-13-18(23)21-16-11-5-4-10-15(16)19(24)25/h1-5,8-11H,6-7,12-13H2,(H,20,22)(H,21,23)(H,24,25)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.7637 kcal/mol

Physical Properties
Molecular Weight: 339.371 g/mol	logS: -3.98063	SlogP: 2.1877	Reactive groups: 0

Topological Properties
Globularity: 0.00480212	Sterimol/B1: 2.15684	Sterimol/B2: 2.64498	Sterimol/B3: 4.62926
Sterimol/B4: 4.69835	Sterimol/L: 21.8428

Surface and Volume Properties
Accessible surface: 629.502	Positive charged surface: 356.769	Negative charged surface: 272.733	Volume: 327.375
Hydrophobic surface: 473.335	Hydrophilic surface: 156.167

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 2	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:

Parent related molecule:

MMs03807504
PUBCHEM-ZINC06581259