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MMsINC code: MMs00849451

Type: Ionized
Formula: C₁₉H₁₇N₂O₃-

SMILES:

O(CC)c1cc2c(nc(cc2Nc2cc(ccc2)C(=O)[O-])C)cc1

InChI:

InChI=1/C19H18N2O3/c1-3-24-15-7-8-17-16(11-15)18(9-12(2)20-17)21-14-6-4-5-13(10-14)19(22)23/h4-11H,3H2,1-2H3,(H,20,21)(H,22,23)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.6357 kcal/mol

Physical Properties
Molecular Weight: 321.356 g/mol	logS: -4.51457	SlogP: 3.04902	Reactive groups: 0

Topological Properties
Globularity: 0.0557286	Sterimol/B1: 2.91676	Sterimol/B2: 3.75624	Sterimol/B3: 3.76094
Sterimol/B4: 8.96706	Sterimol/L: 16.8347

Surface and Volume Properties
Accessible surface: 591.443	Positive charged surface: 340.386	Negative charged surface: 245.036	Volume: 311.75
Hydrophobic surface: 449.143	Hydrophilic surface: 142.3

Pharmacophoric Properties
Hydrogen bond donors: 1	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

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Parent related molecule:

MMs00849450
CHEMDIV-ZINC00319245