MMsINC Database Search


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MMsINC code: MMs01289461

Type: Neutral
Formula: C₁₀H₈Cl₂F₃NO

SMILES:

Clc1ccc(NC(=O)C(Cl)C)cc1C(F)(F)F

InChI:

InChI=1/C10H8Cl2F3NO/c1-5(11)9(17)16-6-2-3-8(12)7(4-6)10(13,14)15/h2-5H,1H3,(H,16,17)/t5-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.8627 kcal/mol

Physical Properties
Molecular Weight: 286.08 g/mol	logS: -4.4703	SlogP: 4.656	Reactive groups: 0

Topological Properties
Globularity: 0.062901	Sterimol/B1: 2.2491	Sterimol/B2: 3.77411	Sterimol/B3: 4.61642
Sterimol/B4: 4.78582	Sterimol/L: 13.1703

Surface and Volume Properties
Accessible surface: 442.821	Positive charged surface: 146.909	Negative charged surface: 295.912	Volume: 215.125
Hydrophobic surface: 226.917	Hydrophilic surface: 215.904

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.