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MMsINC code: MMs02817971

Type: Neutral
Formula: C₂₀H₂₂N₂O₂

SMILES:

O(C(=O)c1n(c2c(c1)cccc2)-c1ccccc1)C(CN(C)C)C

InChI:

InChI=1/C20H22N2O2/c1-15(14-21(2)3)24-20(23)19-13-16-9-7-8-12-18(16)22(19)17-10-5-4-6-11-17/h4-13,15H,14H2,1-3H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.3609 kcal/mol

Physical Properties
Molecular Weight: 322.408 g/mol	logS: -4.1524	SlogP: 3.7374	Reactive groups: 0

Topological Properties
Globularity: 0.0851053	Sterimol/B1: 2.10529	Sterimol/B2: 3.31635	Sterimol/B3: 5.58421
Sterimol/B4: 7.2995	Sterimol/L: 16.5072

Surface and Volume Properties
Accessible surface: 578.974	Positive charged surface: 386.237	Negative charged surface: 187.219	Volume: 330.75
Hydrophobic surface: 523.928	Hydrophilic surface: 55.046

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02817972
PUBCHEM-ZINC01654529