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MMsINC code: MMs03013628

Type: Neutral
Formula: C₂₃H₂₆N₂O

SMILES:

O=C(NC1CCCCCC1)Cn1c2c(cc1-c1ccccc1)cccc2

InChI:

InChI=1/C23H26N2O/c26-23(24-20-13-6-1-2-7-14-20)17-25-21-15-9-8-12-19(21)16-22(25)18-10-4-3-5-11-18/h3-5,8-12,15-16,20H,1-2,6-7,13-14,17H2,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.2257 kcal/mol

Physical Properties
Molecular Weight: 346.474 g/mol	logS: -6.1229	SlogP: 5.4137	Reactive groups: 0

Topological Properties
Globularity: 0.0823781	Sterimol/B1: 2.55948	Sterimol/B2: 3.51835	Sterimol/B3: 3.96813
Sterimol/B4: 11.2099	Sterimol/L: 14.7009

Surface and Volume Properties
Accessible surface: 617.82	Positive charged surface: 386.942	Negative charged surface: 225.834	Volume: 361
Hydrophobic surface: 587.6	Hydrophilic surface: 30.22

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: no related molecules available.