MMsINC Database Search


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MMsINC code: MMs01348658

Type: Neutral
Formula: C₁₃H₇F₄NO

SMILES:

Fc1cc(NC(=O)c2cc(F)cc(F)c2)ccc1F

InChI:

InChI=1/C13H7F4NO/c14-8-3-7(4-9(15)5-8)13(19)18-10-1-2-11(16)12(17)6-10/h1-6H,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.9582 kcal/mol

Physical Properties
Molecular Weight: 269.197 g/mol	logS: -4.53479	SlogP: 3.4953	Reactive groups: 0

Topological Properties
Globularity: 0.0180305	Sterimol/B1: 2.10285	Sterimol/B2: 2.73266	Sterimol/B3: 2.95031
Sterimol/B4: 4.95836	Sterimol/L: 14.5164

Surface and Volume Properties
Accessible surface: 436.77	Positive charged surface: 178.799	Negative charged surface: 257.971	Volume: 210.125
Hydrophobic surface: 399.99	Hydrophilic surface: 36.78

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.