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MMsINC code: MMs02871995

Type: Neutral
Formula: C₂₀H₂₀Cl₂FNO₂

SMILES:

Clc1cc(Cl)ccc1OCCCC(=O)N1c2c(cc(F)cc2)CCC1C

InChI:

InChI=1/C20H20Cl2FNO2/c1-13-4-5-14-11-16(23)7-8-18(14)24(13)20(25)3-2-10-26-19-9-6-15(21)12-17(19)22/h6-9,11-13H,2-5,10H2,1H3/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=166.355 kcal/mol

Physical Properties
Molecular Weight: 396.289 g/mol	logS: -5.8858	SlogP: 5.65937	Reactive groups: 0

Topological Properties
Globularity: 0.0157753	Sterimol/B1: 2.56933	Sterimol/B2: 2.7946	Sterimol/B3: 3.05695
Sterimol/B4: 7.42497	Sterimol/L: 19.7644

Surface and Volume Properties
Accessible surface: 637.698	Positive charged surface: 319.15	Negative charged surface: 318.548	Volume: 350.125
Hydrophobic surface: 597.606	Hydrophilic surface: 40.092

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

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: no related molecules available.