MMsINC Database Search


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MMsINC code: MMs02675074

Type: Neutral
Formula: C₁₃H₈Cl₂F₂N₂O

SMILES:

Clc1ccc(Cl)cc1NC(=O)Nc1cc(F)ccc1F

InChI:

InChI=1/C13H8Cl2F2N2O/c14-7-1-3-9(15)11(5-7)18-13(20)19-12-6-8(16)2-4-10(12)17/h1-6H,(H2,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.5441 kcal/mol

Physical Properties
Molecular Weight: 317.122 g/mol	logS: -5.31059	SlogP: 4.9156	Reactive groups: 0

Topological Properties
Globularity: 0.0375146	Sterimol/B1: 3.00748	Sterimol/B2: 3.60624	Sterimol/B3: 4.21392
Sterimol/B4: 5.57814	Sterimol/L: 14.4016

Surface and Volume Properties
Accessible surface: 498.128	Positive charged surface: 187.403	Negative charged surface: 310.725	Volume: 246.125
Hydrophobic surface: 447.718	Hydrophilic surface: 50.41

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.