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MMsINC code: MMs01701434

Type: Neutral
Formula: C₂₃H₂₆N₂O

SMILES:

O=C(NCCCc1ccccc1)CN(CC)c1c2c(ccc1)cccc2

InChI:

InChI=1/C23H26N2O/c1-2-25(22-16-8-14-20-13-6-7-15-21(20)22)18-23(26)24-17-9-12-19-10-4-3-5-11-19/h3-8,10-11,13-16H,2,9,12,17-18H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.872 kcal/mol

Physical Properties
Molecular Weight: 346.474 g/mol	logS: -5.72109	SlogP: 4.41507	Reactive groups: 0

Topological Properties
Globularity: 0.0736111	Sterimol/B1: 2.2514	Sterimol/B2: 2.4693	Sterimol/B3: 6.69429
Sterimol/B4: 6.78782	Sterimol/L: 19.7649

Surface and Volume Properties
Accessible surface: 666.324	Positive charged surface: 422.631	Negative charged surface: 236.69	Volume: 369
Hydrophobic surface: 598.272	Hydrophilic surface: 68.052

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.