MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01728454

Type: Neutral
Formula: C₂₀H₁₆N₂O₃

SMILES:

O1c2cc(ccc2OC1)C(=O)N(Cc1ccccc1)c1ncccc1

InChI:

InChI=1/C20H16N2O3/c23-20(16-9-10-17-18(12-16)25-14-24-17)22(19-8-4-5-11-21-19)13-15-6-2-1-3-7-15/h1-12H,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=177.787 kcal/mol

Physical Properties
Molecular Weight: 332.359 g/mol	logS: -4.025	SlogP: 3.9237	Reactive groups: 0

Topological Properties
Globularity: 0.0750821	Sterimol/B1: 2.21106	Sterimol/B2: 2.96155	Sterimol/B3: 4.13407
Sterimol/B4: 8.60492	Sterimol/L: 15.2379

Surface and Volume Properties
Accessible surface: 546.738	Positive charged surface: 338.845	Negative charged surface: 207.893	Volume: 309.125
Hydrophobic surface: 447.249	Hydrophilic surface: 99.489

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.