MMsINC Database Search


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MMsINC code: MMs01395432

Type: Neutral
Formula: C₁₄H₈F₅NO

SMILES:

Fc1c(F)c(cc(F)c1F)C(=O)NCc1ccc(F)cc1

InChI:

InChI=1/C14H8F5NO/c15-8-3-1-7(2-4-8)6-20-14(21)9-5-10(16)12(18)13(19)11(9)17/h1-5H,6H2,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.6927 kcal/mol

Physical Properties
Molecular Weight: 301.214 g/mol	logS: -4.77381	SlogP: 3.5785	Reactive groups: 0

Topological Properties
Globularity: 0.0719351	Sterimol/B1: 2.42068	Sterimol/B2: 3.95766	Sterimol/B3: 4.81896
Sterimol/B4: 4.87038	Sterimol/L: 14.8282

Surface and Volume Properties
Accessible surface: 475.615	Positive charged surface: 205.159	Negative charged surface: 270.457	Volume: 234.75
Hydrophobic surface: 431.145	Hydrophilic surface: 44.47

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.