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MMsINC code: MMs00105093

Type: Neutral
Formula: C₂₃H₂₄N₂O

SMILES:

O=C(N1CCN(CC1)Cc1cc2c(cc1)cccc2)Cc1ccccc1

InChI:

InChI=1/C23H24N2O/c26-23(17-19-6-2-1-3-7-19)25-14-12-24(13-15-25)18-20-10-11-21-8-4-5-9-22(21)16-20/h1-11,16H,12-15,17-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.011 kcal/mol

Physical Properties
Molecular Weight: 344.458 g/mol	logS: -5.179	SlogP: 3.99307	Reactive groups: 0

Topological Properties
Globularity: 0.0662629	Sterimol/B1: 3.60082	Sterimol/B2: 3.71943	Sterimol/B3: 3.9003
Sterimol/B4: 5.70016	Sterimol/L: 19.8415

Surface and Volume Properties
Accessible surface: 633.661	Positive charged surface: 408.234	Negative charged surface: 215.416	Volume: 357
Hydrophobic surface: 600.422	Hydrophilic surface: 33.239

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

MMs00105094
ASINEX-ZINC00273087