MMsINC Database Search


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MMsINC code: MMs00761238

Type: Neutral
Formula: C₁₀H₉F₆NO

SMILES:

FC(F)(F)C(N)(C(F)(F)F)c1cc(ccc1O)C

InChI:

InChI=1/C10H9F6NO/c1-5-2-3-7(18)6(4-5)8(17,9(11,12)13)10(14,15)16/h2-4,18H,17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.518 kcal/mol

Physical Properties
Molecular Weight: 273.176 g/mol	logS: -3.32775	SlogP: 4.13052	Reactive groups: 0

Topological Properties
Globularity: 0.162962	Sterimol/B1: 2.84735	Sterimol/B2: 3.4198	Sterimol/B3: 3.75835
Sterimol/B4: 5.72709	Sterimol/L: 10.7851

Surface and Volume Properties
Accessible surface: 391.889	Positive charged surface: 157.333	Negative charged surface: 234.556	Volume: 194.375
Hydrophobic surface: 169.236	Hydrophilic surface: 222.653

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.