MMsINC Database Search


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MMsINC code: MMs01260915

Type: Neutral
Formula: C₁₅H₁₁F₄NO

SMILES:

Fc1ccc(cc1)CNC(=O)c1ccc(cc1)C(F)(F)F

InChI:

InChI=1/C15H11F4NO/c16-13-7-1-10(2-8-13)9-20-14(21)11-3-5-12(6-4-11)15(17,18)19/h1-8H,9H2,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.6089 kcal/mol

Physical Properties
Molecular Weight: 297.251 g/mol	logS: -4.65044	SlogP: 4.3524	Reactive groups: 0

Topological Properties
Globularity: 0.060146	Sterimol/B1: 2.42157	Sterimol/B2: 4.0989	Sterimol/B3: 4.38932
Sterimol/B4: 4.81807	Sterimol/L: 15.6393

Surface and Volume Properties
Accessible surface: 500.503	Positive charged surface: 209.623	Negative charged surface: 290.88	Volume: 249.125
Hydrophobic surface: 350.001	Hydrophilic surface: 150.502

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.