MMsINC Database Search


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MMsINC code: MMs02273383

Type: Neutral
Formula: C₈H₆Cl₃FO

SMILES:

ClC(Cl)(Cl)C(O)c1ccc(F)cc1

InChI:

InChI=1/C8H6Cl3FO/c9-8(10,11)7(13)5-1-3-6(12)4-2-5/h1-4,7,13H/t7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.8864 kcal/mol

Physical Properties
Molecular Weight: 243.492 g/mol	logS: -3.85864	SlogP: 3.7447	Reactive groups: 0

Topological Properties
Globularity: 0.133619	Sterimol/B1: 2.55673	Sterimol/B2: 2.78365	Sterimol/B3: 4.06246
Sterimol/B4: 4.93888	Sterimol/L: 11.5774

Surface and Volume Properties
Accessible surface: 369.389	Positive charged surface: 106.593	Negative charged surface: 262.796	Volume: 181.625
Hydrophobic surface: 180.373	Hydrophilic surface: 189.016

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.