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MMsINC code: MMs00852449

Type: Neutral
Formula: C₁₈H₁₈N₂O₂

SMILES:

O(C)c1cc(ccc1)C(=O)NCCn1c2c(cccc2)cc1

InChI:

InChI=1/C18H18N2O2/c1-22-16-7-4-6-15(13-16)18(21)19-10-12-20-11-9-14-5-2-3-8-17(14)20/h2-9,11,13H,10,12H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.3442 kcal/mol

Physical Properties
Molecular Weight: 294.354 g/mol	logS: -3.55964	SlogP: 3.3463	Reactive groups: 0

Topological Properties
Globularity: 0.0480747	Sterimol/B1: 2.81762	Sterimol/B2: 3.99564	Sterimol/B3: 4.77356
Sterimol/B4: 5.26583	Sterimol/L: 18.5166

Surface and Volume Properties
Accessible surface: 570.065	Positive charged surface: 353.272	Negative charged surface: 211.082	Volume: 295.125
Hydrophobic surface: 500.79	Hydrophilic surface: 69.275

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.