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MMsINC code: MMs00585296

Type: Neutral
Formula: C₂₀H₁₆N₂O₂

SMILES:

O1c2c(cccc2)C(c2c1cccc2)CC(=O)Nc1ncccc1

InChI:

InChI=1/C20H16N2O2/c23-20(22-19-11-5-6-12-21-19)13-16-14-7-1-3-9-17(14)24-18-10-4-2-8-15(16)18/h1-12,16H,13H2,(H,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.0558 kcal/mol

Physical Properties
Molecular Weight: 316.36 g/mol	logS: -4.54279	SlogP: 4.348	Reactive groups: 0

Topological Properties
Globularity: 0.315372	Sterimol/B1: 2.39937	Sterimol/B2: 3.89151	Sterimol/B3: 4.61209
Sterimol/B4: 9.62075	Sterimol/L: 12.4635

Surface and Volume Properties
Accessible surface: 553.593	Positive charged surface: 345.188	Negative charged surface: 208.405	Volume: 302
Hydrophobic surface: 517.254	Hydrophilic surface: 36.339

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.