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MMsINC code: MMs00834690

Type: Neutral
Formula: C₂₃H₂₆N₂O

SMILES:

Oc1c2cc(ccc2nc(-c2ccccc2)c1CN1CCC(CC1)C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.596 kcal/mol

Physical Properties
Molecular Weight: 346.474 g/mol	logS: -5.62139	SlogP: 5.41412	Reactive groups: 0

Topological Properties
Globularity: 0.0899231	Sterimol/B1: 3.46401	Sterimol/B2: 3.61021	Sterimol/B3: 3.9987
Sterimol/B4: 9.47562	Sterimol/L: 15.5851

Surface and Volume Properties
Accessible surface: 607.58	Positive charged surface: 394.176	Negative charged surface: 205.719	Volume: 357.5
Hydrophobic surface: 538.254	Hydrophilic surface: 69.326

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs00834691
CHEMDIV-ZINC00143844