MMsINC Database Search


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MMsINC code: MMs02310937

Type: Neutral
Formula: C₁₆H₁₁F₇O

SMILES:

FC(F)(C(O)(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)F

InChI:

InChI=1/C16H11F7O/c17-14(18,15(19,20)16(21,22)23)13(24,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,24H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.148 kcal/mol

Physical Properties
Molecular Weight: 352.249 g/mol	logS: -5.41347	SlogP: 6.3266	Reactive groups: 0

Topological Properties
Globularity: 0.333052	Sterimol/B1: 2.38861	Sterimol/B2: 3.55936	Sterimol/B3: 4.25065
Sterimol/B4: 8.721	Sterimol/L: 12.1456

Surface and Volume Properties
Accessible surface: 476.382	Positive charged surface: 179.451	Negative charged surface: 296.931	Volume: 265.5
Hydrophobic surface: 301.372	Hydrophilic surface: 175.01

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.