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MMsINC code: MMs02163142

Type: Neutral
Formula: C₂₀H₂₂Cl₂FN₃O

SMILES:

Clc1cccc(NC(=O)N2CCCN(CC2)Cc2c(F)cccc2Cl)c1C

InChI:

InChI=1/C20H22Cl2FN3O/c1-14-16(21)5-3-8-19(14)24-20(27)26-10-4-9-25(11-12-26)13-15-17(22)6-2-7-18(15)23/h2-3,5-8H,4,9-13H2,1H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.1088 kcal/mol

Physical Properties
Molecular Weight: 410.32 g/mol	logS: -5.26263	SlogP: 5.44712	Reactive groups: 0

Topological Properties
Globularity: 0.0666678	Sterimol/B1: 2.98864	Sterimol/B2: 3.54553	Sterimol/B3: 4.4417
Sterimol/B4: 6.68879	Sterimol/L: 18.0385

Surface and Volume Properties
Accessible surface: 623.267	Positive charged surface: 341.069	Negative charged surface: 282.197	Volume: 366.75
Hydrophobic surface: 594.853	Hydrophilic surface: 28.414

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02163143
MAYBRIDGE-ZINC04299389