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MMsINC code: MMs02177585

Type: Neutral
Formula: C₁₉H₁₆N₂O₃

SMILES:

OC(=O)c1c[n+]([O-])ccc1NC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H16N2O3/c22-19(23)16-13-21(24)12-11-17(16)20-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,18,20H,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.55 kcal/mol

Physical Properties
Molecular Weight: 320.348 g/mol	logS: -3.76169	SlogP: 3.3152	Reactive groups: 0

Topological Properties
Globularity: 0.264508	Sterimol/B1: 2.39594	Sterimol/B2: 3.24785	Sterimol/B3: 5.54493
Sterimol/B4: 8.66018	Sterimol/L: 13.9256

Surface and Volume Properties
Accessible surface: 555.103	Positive charged surface: 277.045	Negative charged surface: 278.058	Volume: 305.5
Hydrophobic surface: 427.847	Hydrophilic surface: 127.256

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02177586
MDPI-ZINC03844331