MMsINC Database Search


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MMsINC code: MMs00579338

Type: Neutral
Formula: C₁₄H₈Cl₂F₄N₂O

SMILES:

Clc1cc(NC(=O)Nc2cc(C(F)(F)F)c(F)cc2)ccc1Cl

InChI:

InChI=1/C14H8Cl2F4N2O/c15-10-3-1-8(6-11(10)16)22-13(23)21-7-2-4-12(17)9(5-7)14(18,19)20/h1-6H,(H2,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.9646 kcal/mol

Physical Properties
Molecular Weight: 367.129 g/mol	logS: -6.07216	SlogP: 6.1068	Reactive groups: 0

Topological Properties
Globularity: 0.0516006	Sterimol/B1: 2.26835	Sterimol/B2: 3.17775	Sterimol/B3: 4.2148
Sterimol/B4: 4.3384	Sterimol/L: 16.8253

Surface and Volume Properties
Accessible surface: 536.203	Positive charged surface: 178.139	Negative charged surface: 358.064	Volume: 269.5
Hydrophobic surface: 373.716	Hydrophilic surface: 162.487

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.