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MMsINC code: MMs00818493

Type: Ionized
Formula: C₂₄H₂₆FN₂O+

SMILES:

Fc1ccc(N2CC[NH+](CC2)Cc2cc(OCc3ccccc3)ccc2)cc1

InChI:

InChI=1/C24H25FN2O/c25-22-9-11-23(12-10-22)27-15-13-26(14-16-27)18-21-7-4-8-24(17-21)28-19-20-5-2-1-3-6-20/h1-12,17H,13-16,18-19H2/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.593 kcal/mol

Physical Properties
Molecular Weight: 377.483 g/mol	logS: -5.21579	SlogP: 3.8426	Reactive groups: 0

Topological Properties
Globularity: 0.0482743	Sterimol/B1: 2.58941	Sterimol/B2: 3.21067	Sterimol/B3: 3.84281
Sterimol/B4: 9.12941	Sterimol/L: 18.92

Surface and Volume Properties
Accessible surface: 695.538	Positive charged surface: 443.819	Negative charged surface: 251.719	Volume: 387.875
Hydrophobic surface: 658.925	Hydrophilic surface: 36.613

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 1
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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Parent related molecule:

MMs00818492
CHEMBRIDGE-ZINC04981155