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MMsINC code: MMs02308014

Type: Neutral
Formula: C₂₂H₂₁NO

SMILES:

O=C(CN(Cc1ccccc1)Cc1ccccc1)c1ccccc1

InChI:

InChI=1/C22H21NO/c24-22(21-14-8-3-9-15-21)18-23(16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-15H,16-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.656 kcal/mol

Physical Properties
Molecular Weight: 315.416 g/mol	logS: -5.12348	SlogP: 5.1045	Reactive groups: 0

Topological Properties
Globularity: 0.141471	Sterimol/B1: 2.51105	Sterimol/B2: 3.46998	Sterimol/B3: 4.08559
Sterimol/B4: 9.02526	Sterimol/L: 15.9745

Surface and Volume Properties
Accessible surface: 591.094	Positive charged surface: 336.388	Negative charged surface: 254.706	Volume: 332.75
Hydrophobic surface: 560.467	Hydrophilic surface: 30.627

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02308015
NCID-ZINC01671906