MMsINC Database Search


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MMsINC code: MMs02897550

Type: Neutral
Formula: C₁₁H₈ClF₆NO

SMILES:

ClC(C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C

InChI:

InChI=1/C11H8ClF6NO/c1-5(12)9(20)19-8-3-6(10(13,14)15)2-7(4-8)11(16,17)18/h2-5H,1H3,(H,19,20)/t5-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.1611 kcal/mol

Physical Properties
Molecular Weight: 319.632 g/mol	logS: -4.79256	SlogP: 5.3329	Reactive groups: 0

Topological Properties
Globularity: 0.0641858	Sterimol/B1: 2.26937	Sterimol/B2: 4.52247	Sterimol/B3: 4.53425
Sterimol/B4: 5.2352	Sterimol/L: 13.2011

Surface and Volume Properties
Accessible surface: 469.653	Positive charged surface: 133.642	Negative charged surface: 336.011	Volume: 225.375
Hydrophobic surface: 139.203	Hydrophilic surface: 330.45

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.