MMsINC Database Search


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MMsINC code: MMs01533994

Type: Neutral
Formula: C₁₄H₁₃F₂NO

SMILES:

FC(F)Oc1ccc(cc1)C(N)c1ccccc1

InChI:

InChI=1/C14H13F2NO/c15-14(16)18-12-8-6-11(7-9-12)13(17)10-4-2-1-3-5-10/h1-9,13-14H,17H2/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.8417 kcal/mol

Physical Properties
Molecular Weight: 249.26 g/mol	logS: -2.95195	SlogP: 3.8515	Reactive groups: 0

Topological Properties
Globularity: 0.186971	Sterimol/B1: 2.40176	Sterimol/B2: 3.21222	Sterimol/B3: 5.31289
Sterimol/B4: 5.72107	Sterimol/L: 13.3438

Surface and Volume Properties
Accessible surface: 453.997	Positive charged surface: 235.079	Negative charged surface: 218.918	Volume: 229.875
Hydrophobic surface: 315.952	Hydrophilic surface: 138.045

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.