MMsINC Database Search


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MMsINC code: MMs01714565

Type: Neutral
Formula: C₁₂H₇Cl₂F₂N₃O

SMILES:

Clc1cc(Cl)cnc1NC(=O)Nc1ccc(F)cc1F

InChI:

InChI=1/C12H7Cl2F2N3O/c13-6-3-8(14)11(17-5-6)19-12(20)18-10-2-1-7(15)4-9(10)16/h1-5H,(H2,17,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.2776 kcal/mol

Physical Properties
Molecular Weight: 318.11 g/mol	logS: -4.36371	SlogP: 4.3106	Reactive groups: 0

Topological Properties
Globularity: 0.0103611	Sterimol/B1: 2.15685	Sterimol/B2: 2.59625	Sterimol/B3: 2.85373
Sterimol/B4: 6.36609	Sterimol/L: 15.6589

Surface and Volume Properties
Accessible surface: 488.482	Positive charged surface: 204.945	Negative charged surface: 283.537	Volume: 242.25
Hydrophobic surface: 422.567	Hydrophilic surface: 65.915

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.