MMsINC Database Search


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MMsINC code: MMs00908515

Type: Neutral
Formula: C₂₂H₁₅Cl₂FN₂O

SMILES:

Clc1cc(F)ccc1CN1c2c(cc(Cl)cc2)C(=NCC1=O)c1ccccc1

InChI:

InChI=1/C22H15Cl2FN2O/c23-16-7-9-20-18(10-16)22(14-4-2-1-3-5-14)26-12-21(28)27(20)13-15-6-8-17(25)11-19(15)24/h1-11H,12-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.553 kcal/mol

Physical Properties
Molecular Weight: 413.279 g/mol	logS: -7.32886	SlogP: 5.7831	Reactive groups: 0

Topological Properties
Globularity: 0.462221	Sterimol/B1: 4.33359	Sterimol/B2: 4.73731	Sterimol/B3: 5.89402
Sterimol/B4: 7.48405	Sterimol/L: 11.8555

Surface and Volume Properties
Accessible surface: 590.994	Positive charged surface: 276.94	Negative charged surface: 314.054	Volume: 357.125
Hydrophobic surface: 555.083	Hydrophilic surface: 35.911

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.