MMsINC Database Search


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MMsINC code: MMs01564537

Type: Neutral
Formula: C₁₆H₁₈N₂O₂

SMILES:

O(C)c1cc(O)c(cc1)/C(=N/Nc1ccccc1C)/C

InChI:

InChI=1/C16H18N2O2/c1-11-6-4-5-7-15(11)18-17-12(2)14-9-8-13(20-3)10-16(14)19/h4-10,18-19H,1-3H3/b17-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.862 kcal/mol

Physical Properties
Molecular Weight: 270.332 g/mol	logS: -3.16197	SlogP: 3.54532	Reactive groups: 0

Topological Properties
Globularity: 0.00871826	Sterimol/B1: 2.34321	Sterimol/B2: 2.49593	Sterimol/B3: 2.50582
Sterimol/B4: 6.8019	Sterimol/L: 16.981

Surface and Volume Properties
Accessible surface: 519.678	Positive charged surface: 333.862	Negative charged surface: 185.816	Volume: 274.25
Hydrophobic surface: 465.394	Hydrophilic surface: 54.284

Pharmacophoric Properties
Hydrogen bond donors: 2	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.