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MMsINC code: MMs01308664

Type: Neutral
Formula: C₂₄H₂₄N₂O

SMILES:

O=C(N(C1CC(Nc2c1cccc2)C)c1ccccc1)Cc1ccccc1

InChI:

InChI=1/C24H24N2O/c1-18-16-23(21-14-8-9-15-22(21)25-18)26(20-12-6-3-7-13-20)24(27)17-19-10-4-2-5-11-19/h2-15,18,23,25H,16-17H2,1H3/t18-,23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.828 kcal/mol

Physical Properties
Molecular Weight: 356.469 g/mol	logS: -5.55253	SlogP: 5.30317	Reactive groups: 0

Topological Properties
Globularity: 0.21852	Sterimol/B1: 2.46946	Sterimol/B2: 2.90795	Sterimol/B3: 7.22862
Sterimol/B4: 8.49337	Sterimol/L: 15.3253

Surface and Volume Properties
Accessible surface: 605.178	Positive charged surface: 367.126	Negative charged surface: 238.052	Volume: 364.75
Hydrophobic surface: 550.872	Hydrophilic surface: 54.306

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

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: no related molecules available.