MMsINC Database Search


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MMsINC code: MMs03002606

Type: Neutral
Formula: C₁₁H₈ClF₆NO

SMILES:

ClC(F)(F)C(F)(F)C(F)(F)C(=O)NCc1ccccc1

InChI:

InChI=1/C11H8ClF6NO/c12-11(17,18)10(15,16)9(13,14)8(20)19-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.6745 kcal/mol

Physical Properties
Molecular Weight: 319.632 g/mol	logS: -4.46227	SlogP: 4.9311	Reactive groups: 1

Topological Properties
Globularity: 0.0798793	Sterimol/B1: 2.45412	Sterimol/B2: 3.55411	Sterimol/B3: 3.95273
Sterimol/B4: 4.23043	Sterimol/L: 15.6599

Surface and Volume Properties
Accessible surface: 472.971	Positive charged surface: 149.73	Negative charged surface: 323.242	Volume: 224.75
Hydrophobic surface: 218.628	Hydrophilic surface: 254.343

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.