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MMsINC code: MMs00710799

Type: Neutral
Formula: C₂₀H₂₂N₂O₂

SMILES:

O(C)c1cc2CCN(Cc2cc1OC)Cc1c2c([nH]c1)cccc2

InChI:

InChI=1/C20H22N2O2/c1-23-19-9-14-7-8-22(12-15(14)10-20(19)24-2)13-16-11-21-18-6-4-3-5-17(16)18/h3-6,9-11,21H,7-8,12-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.6723 kcal/mol

Physical Properties
Molecular Weight: 322.408 g/mol	logS: -3.59876	SlogP: 4.27617	Reactive groups: 0

Topological Properties
Globularity: 0.161075	Sterimol/B1: 3.17661	Sterimol/B2: 3.38978	Sterimol/B3: 5.75508
Sterimol/B4: 7.23175	Sterimol/L: 15.6228

Surface and Volume Properties
Accessible surface: 589.593	Positive charged surface: 434.999	Negative charged surface: 150.143	Volume: 323.5
Hydrophobic surface: 521.374	Hydrophilic surface: 68.219

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs00710800
CHEMBRIDGE-ZINC02490674