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MMsINC code: MMs02649557

Type: Neutral
Formula: C₁₇H₁₇Cl₂FN₂

SMILES:

Clc1cccc(Cl)c1CN1CCN(CC1)c1ccccc1F

InChI:

InChI=1/C17H17Cl2FN2/c18-14-4-3-5-15(19)13(14)12-21-8-10-22(11-9-21)17-7-2-1-6-16(17)20/h1-7H,8-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.056 kcal/mol

Physical Properties
Molecular Weight: 339.241 g/mol	logS: -4.89048	SlogP: 4.7211	Reactive groups: 0

Topological Properties
Globularity: 0.125594	Sterimol/B1: 2.5503	Sterimol/B2: 3.46307	Sterimol/B3: 5.48449
Sterimol/B4: 5.92141	Sterimol/L: 15.4708

Surface and Volume Properties
Accessible surface: 544.785	Positive charged surface: 284.515	Negative charged surface: 260.27	Volume: 303.375
Hydrophobic surface: 527.834	Hydrophilic surface: 16.951

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs02649558
PUBCHEM-ZINC00279080