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MMsINC code: MMs00979304

Type: Neutral
Formula: C₂₅H₂₉FN₂+2

SMILES:

Fc1ccccc1C[NH+]1CC[NH+](Cc2ccccc2C)C1c1ccccc1C

InChI:

InChI=1/C25H27FN2/c1-19-9-3-5-11-21(19)17-27-15-16-28(18-22-12-6-8-14-24(22)26)25(27)23-13-7-4-10-20(23)2/h3-14,25H,15-18H2,1-2H3/p+2/t25-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.0701 kcal/mol

Physical Properties
Molecular Weight: 376.519 g/mol	logS: -5.91363	SlogP: 3.25324	Reactive groups: 0

Topological Properties
Globularity: 0.144723	Sterimol/B1: 4.05467	Sterimol/B2: 4.75653	Sterimol/B3: 5.80284
Sterimol/B4: 6.8022	Sterimol/L: 16.7571

Surface and Volume Properties
Accessible surface: 649.625	Positive charged surface: 401.366	Negative charged surface: 248.258	Volume: 401.25
Hydrophobic surface: 630.014	Hydrophilic surface: 19.611

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 2
Chiral centers: 1

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

MMs00979305
CHEMDIV-ZINC05021875