MMsINC Database Search


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MMsINC code: MMs00134717

Type: Neutral
Formula: C₁₉H₁₈N₂O₃

SMILES:

o1nc(-c2ccccc2)c(C(=O)Nc2ccccc2OCC)c1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.2846 kcal/mol

Physical Properties
Molecular Weight: 322.364 g/mol	logS: -5.08738	SlogP: 4.30102	Reactive groups: 0

Topological Properties
Globularity: 0.179302	Sterimol/B1: 2.32128	Sterimol/B2: 5.09329	Sterimol/B3: 6.08943
Sterimol/B4: 6.53396	Sterimol/L: 14.9553

Surface and Volume Properties
Accessible surface: 585.202	Positive charged surface: 331.893	Negative charged surface: 253.309	Volume: 314.5
Hydrophobic surface: 502.895	Hydrophilic surface: 82.307

Pharmacophoric Properties
Hydrogen bond donors: 1	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.