MMsINC Database Search


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MMsINC code: MMs02310896

Type: Neutral
Formula: C₉H₆Cl₂F₄O

SMILES:

ClC(F)(F)C(O)(C(Cl)(F)F)c1ccccc1

InChI:

InChI=1/C9H6Cl2F4O/c10-8(12,13)7(16,9(11,14)15)6-4-2-1-3-5-6/h1-5,16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.6765 kcal/mol

Physical Properties
Molecular Weight: 277.044 g/mol	logS: -4.20506	SlogP: 4.6887	Reactive groups: 0

Topological Properties
Globularity: 0.219842	Sterimol/B1: 3.79434	Sterimol/B2: 3.80585	Sterimol/B3: 3.95842
Sterimol/B4: 3.95892	Sterimol/L: 11.2487

Surface and Volume Properties
Accessible surface: 378.528	Positive charged surface: 101.985	Negative charged surface: 276.543	Volume: 190.5
Hydrophobic surface: 154.902	Hydrophilic surface: 223.626

Pharmacophoric Properties
Hydrogen bond donors: 1	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.