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MMsINC code: MMs02855123

Type: Neutral
Formula: C₂₀H₂₄N₂O

SMILES:

O(C)c1cc2c(n(c(C)c2CN(C)C)-c2ccccc2C)cc1

InChI:

InChI=1/C20H24N2O/c1-14-8-6-7-9-19(14)22-15(2)18(13-21(3)4)17-12-16(23-5)10-11-20(17)22/h6-12H,13H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.302 kcal/mol

Physical Properties
Molecular Weight: 308.425 g/mol	logS: -3.78834	SlogP: 4.58394	Reactive groups: 0

Topological Properties
Globularity: 0.173023	Sterimol/B1: 2.18017	Sterimol/B2: 4.96906	Sterimol/B3: 6.03993
Sterimol/B4: 7.72858	Sterimol/L: 13.9502

Surface and Volume Properties
Accessible surface: 563.73	Positive charged surface: 409.73	Negative charged surface: 150.195	Volume: 328.875
Hydrophobic surface: 543.258	Hydrophilic surface: 20.472

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02855124
PUBCHEM-ZINC02019496