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MMsINC code: MMs01047743

Type: Neutral
Formula: C₂₃H₂₆N₂O₂

SMILES:

O1CCN(CC1)C(=O)CCc1c2c(n(c1)Cc1ccccc1C)cccc2

InChI:

InChI=1/C23H26N2O2/c1-18-6-2-3-7-19(18)16-25-17-20(21-8-4-5-9-22(21)25)10-11-23(26)24-12-14-27-15-13-24/h2-9,17H,10-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.221 kcal/mol

Physical Properties
Molecular Weight: 362.473 g/mol	logS: -4.08562	SlogP: 4.05579	Reactive groups: 0

Topological Properties
Globularity: 0.0622003	Sterimol/B1: 2.45981	Sterimol/B2: 3.35719	Sterimol/B3: 3.94113
Sterimol/B4: 9.05051	Sterimol/L: 18.3107

Surface and Volume Properties
Accessible surface: 648.156	Positive charged surface: 439.55	Negative charged surface: 204.298	Volume: 370.625
Hydrophobic surface: 587.882	Hydrophilic surface: 60.274

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: no related molecules available.