MMsINC Database Search


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MMsINC code: MMs02549588

Type: Neutral
Formula: C₁₄H₁₀F₅NO

SMILES:

FC(F)(C(O)(c1ccccc1)c1ncccc1)C(F)(F)F

InChI:

InChI=1/C14H10F5NO/c15-13(16,14(17,18)19)12(21,10-6-2-1-3-7-10)11-8-4-5-9-20-11/h1-9,21H/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.786 kcal/mol

Physical Properties
Molecular Weight: 303.23 g/mol	logS: -3.60491	SlogP: 4.6664	Reactive groups: 0

Topological Properties
Globularity: 0.285565	Sterimol/B1: 2.13806	Sterimol/B2: 3.44053	Sterimol/B3: 4.64075
Sterimol/B4: 7.26735	Sterimol/L: 11.5859

Surface and Volume Properties
Accessible surface: 446.234	Positive charged surface: 203.632	Negative charged surface: 242.603	Volume: 236.125
Hydrophobic surface: 302.976	Hydrophilic surface: 143.258

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.