MMsINC Database Search


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MMsINC code: MMs03278304

Type: Neutral
Formula: C₁₄H₁₄F₇NO

SMILES:

FC(F)(C(F)(F)C(F)(F)F)C(=O)Nc1ccc(cc1)CCCC

InChI:

InChI=1/C14H14F7NO/c1-2-3-4-9-5-7-10(8-6-9)22-11(23)12(15,16)13(17,18)14(19,20)21/h5-8H,2-4H2,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.4285 kcal/mol

Physical Properties
Molecular Weight: 345.258 g/mol	logS: -6.09622	SlogP: 6.06027	Reactive groups: 1

Topological Properties
Globularity: 0.0387123	Sterimol/B1: 2.31735	Sterimol/B2: 3.02919	Sterimol/B3: 4.23254
Sterimol/B4: 4.55346	Sterimol/L: 18.2909

Surface and Volume Properties
Accessible surface: 537.865	Positive charged surface: 232.058	Negative charged surface: 305.807	Volume: 265.25
Hydrophobic surface: 285.114	Hydrophilic surface: 252.751

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.