MMsINC Database Search


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MMsINC code: MMs01172239

Type: Neutral
Formula: C₁₉H₁₅NO₄

SMILES:

O1c2c(C=C(/C(=N\OC(=O)c3ccccc3C)/C)C1=O)cccc2

InChI:

InChI=1/C19H15NO4/c1-12-7-3-5-9-15(12)19(22)24-20-13(2)16-11-14-8-4-6-10-17(14)23-18(16)21/h3-11H,1-2H3/b20-13-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.477 kcal/mol

Physical Properties
Molecular Weight: 321.332 g/mol	logS: -5.88445	SlogP: 3.53032	Reactive groups: 0

Topological Properties
Globularity: 0.0823568	Sterimol/B1: 3.90178	Sterimol/B2: 4.31755	Sterimol/B3: 5.51494
Sterimol/B4: 6.04481	Sterimol/L: 14.7125

Surface and Volume Properties
Accessible surface: 575.666	Positive charged surface: 311.886	Negative charged surface: 263.78	Volume: 302.375
Hydrophobic surface: 481.271	Hydrophilic surface: 94.395

Pharmacophoric Properties
Hydrogen bond donors: 0	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.