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MMsINC code: MMs01683554

Type: Neutral
Formula: C₁₉H₂₂N₂O₂

SMILES:

O=C(NCC(=O)Nc1cc2c(cc1)cccc2)C1CCCCC1

InChI:

InChI=1/C19H22N2O2/c22-18(13-20-19(23)15-7-2-1-3-8-15)21-17-11-10-14-6-4-5-9-16(14)12-17/h4-6,9-12,15H,1-3,7-8,13H2,(H,20,23)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.1655 kcal/mol

Physical Properties
Molecular Weight: 310.397 g/mol	logS: -5.49194	SlogP: 3.4748	Reactive groups: 0

Topological Properties
Globularity: 0.0188963	Sterimol/B1: 2.79714	Sterimol/B2: 3.23849	Sterimol/B3: 3.50301
Sterimol/B4: 5.00049	Sterimol/L: 19.1629

Surface and Volume Properties
Accessible surface: 593.365	Positive charged surface: 387.185	Negative charged surface: 194.696	Volume: 311.875
Hydrophobic surface: 506.412	Hydrophilic surface: 86.953

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.