MMsINC Database Search


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MMsINC code: MMs01347942

Type: Neutral
Formula: C₁₀H₈Cl₂F₃NO

SMILES:

Clc1ccc(cc1NC(=O)C(Cl)C)C(F)(F)F

InChI:

InChI=1/C10H8Cl2F3NO/c1-5(11)9(17)16-8-4-6(10(13,14)15)2-3-7(8)12/h2-5H,1H3,(H,16,17)/t5-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.6064 kcal/mol

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

Topological Properties
Globularity: 0.0598733	Sterimol/B1: 2.36387	Sterimol/B2: 3.73903	Sterimol/B3: 4.67972
Sterimol/B4: 6.07973	Sterimol/L: 12.4554

Surface and Volume Properties
Accessible surface: 445.432	Positive charged surface: 139.339	Negative charged surface: 306.093	Volume: 212.5
Hydrophobic surface: 225.589	Hydrophilic surface: 219.843

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.