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MMsINC code: MMs01833317

Type: Neutral
Formula: C₁₉H₂₄N₂O₂

SMILES:

OCCN(Cc1ccccc1)CCC(=O)Nc1cc(ccc1)C

InChI:

InChI=1/C19H24N2O2/c1-16-6-5-9-18(14-16)20-19(23)10-11-21(12-13-22)15-17-7-3-2-4-8-17/h2-9,14,22H,10-13,15H2,1H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.9122 kcal/mol

Physical Properties
Molecular Weight: 312.413 g/mol	logS: -3.40606	SlogP: 3.08452	Reactive groups: 0

Topological Properties
Globularity: 0.0884119	Sterimol/B1: 2.42294	Sterimol/B2: 5.7452	Sterimol/B3: 5.76632
Sterimol/B4: 6.10254	Sterimol/L: 16.1846

Surface and Volume Properties
Accessible surface: 613.37	Positive charged surface: 417.689	Negative charged surface: 195.681	Volume: 324.5
Hydrophobic surface: 524.001	Hydrophilic surface: 89.369

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

MMs01833318
IBS-ZINC02327054