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MMsINC code: MMs00820847

Type: Neutral
Formula: C₂₂H₂₄N₂O₂

SMILES:

O1C=C(CN2CCN(CC2)Cc2ccccc2)C(=O)c2cc(ccc12)C

InChI:

InChI=1/C22H24N2O2/c1-17-7-8-21-20(13-17)22(25)19(16-26-21)15-24-11-9-23(10-12-24)14-18-5-3-2-4-6-18/h2-8,13,16H,9-12,14-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.126 kcal/mol

Physical Properties
Molecular Weight: 348.446 g/mol	logS: -4.67782	SlogP: 3.53822	Reactive groups: 1

Topological Properties
Globularity: 0.079584	Sterimol/B1: 2.6859	Sterimol/B2: 3.01159	Sterimol/B3: 4.36981
Sterimol/B4: 8.72528	Sterimol/L: 15.2171

Surface and Volume Properties
Accessible surface: 625.365	Positive charged surface: 410.569	Negative charged surface: 214.796	Volume: 352.5
Hydrophobic surface: 586.997	Hydrophilic surface: 38.368

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs00820848
CHEMBRIDGE-ZINC04988772