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MMsINC code: MMs02259847

Type: Neutral
Formula: C₁₉H₂₂N₂O₂

SMILES:

O=C(C(N)CCCC(N)C(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H22N2O2/c20-16(18(22)14-8-3-1-4-9-14)12-7-13-17(21)19(23)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13,20-21H2/t16-,17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.0723 kcal/mol

Physical Properties
Molecular Weight: 310.397 g/mol	logS: -3.77707	SlogP: 2.5771	Reactive groups: 0

Topological Properties
Globularity: 0.105198	Sterimol/B1: 2.33728	Sterimol/B2: 3.01041	Sterimol/B3: 5.38081
Sterimol/B4: 5.85446	Sterimol/L: 16.9895

Surface and Volume Properties
Accessible surface: 594.635	Positive charged surface: 352.158	Negative charged surface: 242.477	Volume: 318.625
Hydrophobic surface: 431.865	Hydrophilic surface: 162.77

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02259848
NCID-ZINC01608374