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MMsINC code: MMs01945657

Type: Neutral
Formula: C₂₃H₂₄N₂O

SMILES:

O=C(Nc1ccc(cc1)CN1CCCCC1)c1c2c(ccc1)cccc2

InChI:

InChI=1/C23H24N2O/c26-23(22-10-6-8-19-7-2-3-9-21(19)22)24-20-13-11-18(12-14-20)17-25-15-4-1-5-16-25/h2-3,6-14H,1,4-5,15-17H2,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.929 kcal/mol

Physical Properties
Molecular Weight: 344.458 g/mol	logS: -5.85835	SlogP: 5.3444	Reactive groups: 0

Topological Properties
Globularity: 0.035027	Sterimol/B1: 3.06872	Sterimol/B2: 3.0786	Sterimol/B3: 4.08943
Sterimol/B4: 7.00218	Sterimol/L: 18.9865

Surface and Volume Properties
Accessible surface: 628.865	Positive charged surface: 406.667	Negative charged surface: 211.841	Volume: 351.375
Hydrophobic surface: 592.883	Hydrophilic surface: 35.982

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs01945658
IBS-ZINC05399851