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MMsINC code: MMs00530293

Type: Neutral
Formula: C₂₃H₂₃Cl₂FN₂+2

SMILES:

Clc1ccc(cc1)C[NH+]1CC[NH+](Cc2ccc(Cl)cc2)C1c1ccc(F)cc1

InChI:

InChI=1/C23H21Cl2FN2/c24-20-7-1-17(2-8-20)15-27-13-14-28(16-18-3-9-21(25)10-4-18)23(27)19-5-11-22(26)12-6-19/h1-12,23H,13-16H2/p+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.5915 kcal/mol

Physical Properties
Molecular Weight: 417.355 g/mol	logS: -6.43437	SlogP: 3.9432	Reactive groups: 0

Topological Properties
Globularity: 0.118054	Sterimol/B1: 3.27276	Sterimol/B2: 4.56389	Sterimol/B3: 4.99022
Sterimol/B4: 7.36383	Sterimol/L: 18.845

Surface and Volume Properties
Accessible surface: 677.248	Positive charged surface: 340.78	Negative charged surface: 336.468	Volume: 396.25
Hydrophobic surface: 654.129	Hydrophilic surface: 23.119

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

MMs00530294
CHEMBLOCK-ZINC02192140