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MMsINC code: MMs02079053

Type: Neutral
Formula: C₁₉H₂₂N₂O₂

SMILES:

O=C(Nc1cc(C)c(cc1)C)C(=O)NCCCc1ccccc1

InChI:

InChI=1/C19H22N2O2/c1-14-10-11-17(13-15(14)2)21-19(23)18(22)20-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.7079 kcal/mol

Physical Properties
Molecular Weight: 310.397 g/mol	logS: -4.73852	SlogP: 2.99091	Reactive groups: 0

Topological Properties
Globularity: 0.0288043	Sterimol/B1: 3.48765	Sterimol/B2: 3.61175	Sterimol/B3: 3.99106
Sterimol/B4: 5.24716	Sterimol/L: 20.0697

Surface and Volume Properties
Accessible surface: 622.352	Positive charged surface: 385.759	Negative charged surface: 236.593	Volume: 319.875
Hydrophobic surface: 522.272	Hydrophilic surface: 100.08

Pharmacophoric Properties
Hydrogen bond donors: 2	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.