MMsINC Database Search


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MMsINC code: MMs00692536

Type: Neutral
Formula: C₁₃H₉ClFIN₂O

SMILES:

Ic1cc(F)c(NC(=O)Nc2ccc(Cl)cc2)cc1

InChI:

InChI=1/C13H9ClFIN2O/c14-8-1-4-10(5-2-8)17-13(19)18-12-6-3-9(16)7-11(12)15/h1-7H,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.3836 kcal/mol

Physical Properties
Molecular Weight: 390.583 g/mol	logS: -5.27284	SlogP: 4.7277	Reactive groups: 0

Topological Properties
Globularity: 0.0358898	Sterimol/B1: 2.13745	Sterimol/B2: 3.54516	Sterimol/B3: 3.60773
Sterimol/B4: 4.4688	Sterimol/L: 17.2752

Surface and Volume Properties
Accessible surface: 513.499	Positive charged surface: 193.489	Negative charged surface: 320.01	Volume: 260.5
Hydrophobic surface: 457.901	Hydrophilic surface: 55.598

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.