MMsINC Database Search


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MMsINC code: MMs00086505

Type: Neutral
Formula: C₁₄H₁₀ClF₃N₂O

SMILES:

Clc1ccc(NC(=O)Nc2cc(ccc2)C(F)(F)F)cc1

InChI:

InChI=1/C14H10ClF3N2O/c15-10-4-6-11(7-5-10)19-13(21)20-12-3-1-2-9(8-12)14(16,17)18/h1-8H,(H2,19,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.4923 kcal/mol

Physical Properties
Molecular Weight: 314.694 g/mol	logS: -5.04289	SlogP: 5.3143	Reactive groups: 0

Topological Properties
Globularity: 0.061063	Sterimol/B1: 2.80019	Sterimol/B2: 3.06104	Sterimol/B3: 4.21489
Sterimol/B4: 5.84088	Sterimol/L: 15.4526

Surface and Volume Properties
Accessible surface: 506.423	Positive charged surface: 198.609	Negative charged surface: 307.814	Volume: 254.125
Hydrophobic surface: 343.387	Hydrophilic surface: 163.036

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.