MMsINC Database Search


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MMsINC code: MMs00064131

Type: Neutral
Formula: C₂₃H₂₄N₂O

SMILES:

O(N)N1C(CC(CC1c1ccccc1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H24N2O/c24-26-25-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(25)20-14-8-3-9-15-20/h1-15,21-23H,16-17,24H2/t22-,23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.344 kcal/mol

Physical Properties
Molecular Weight: 344.458 g/mol	logS: -5.38408	SlogP: 5.3449	Reactive groups: 0

Topological Properties
Globularity: 0.217178	Sterimol/B1: 2.82132	Sterimol/B2: 4.3374	Sterimol/B3: 4.74378
Sterimol/B4: 9.17298	Sterimol/L: 14.1433

Surface and Volume Properties
Accessible surface: 590.004	Positive charged surface: 352.741	Negative charged surface: 237.263	Volume: 351.5
Hydrophobic surface: 533.086	Hydrophilic surface: 56.918

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.