MMsINC Database Search


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MMsINC code: MMs02128254

Type: Neutral
Formula: C₁₄H₁₀F₅N₃O

SMILES:

Fc1cc(F)ccc1CNC(=O)Nc1cnccc1C(F)(F)F

InChI:

InChI=1/C14H10F5N3O/c15-9-2-1-8(11(16)5-9)6-21-13(23)22-12-7-20-4-3-10(12)14(17,18)19/h1-5,7H,6H2,(H2,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.6104 kcal/mol

Physical Properties
Molecular Weight: 331.244 g/mol	logS: -3.58446	SlogP: 4.2782	Reactive groups: 0

Topological Properties
Globularity: 0.0411893	Sterimol/B1: 2.24063	Sterimol/B2: 3.43177	Sterimol/B3: 4.23247
Sterimol/B4: 4.87284	Sterimol/L: 16.2362

Surface and Volume Properties
Accessible surface: 511.624	Positive charged surface: 248.987	Negative charged surface: 262.637	Volume: 257.375
Hydrophobic surface: 345.721	Hydrophilic surface: 165.903

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.