MMsINC Database Search


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MMsINC code: MMs02549449

Type: Neutral
Formula: C₁₅H₁₆FNO

SMILES:

Fc1ccc(cc1)C(O)c1ccc(N(C)C)cc1

InChI:

InChI=1/C15H16FNO/c1-17(2)14-9-5-12(6-10-14)15(18)11-3-7-13(16)8-4-11/h3-10,15,18H,1-2H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.9018 kcal/mol

Physical Properties
Molecular Weight: 245.297 g/mol	logS: -3.14619	SlogP: 3.0689	Reactive groups: 0

Topological Properties
Globularity: 0.130057	Sterimol/B1: 2.63271	Sterimol/B2: 3.49524	Sterimol/B3: 4.82888
Sterimol/B4: 4.95605	Sterimol/L: 13.6989

Surface and Volume Properties
Accessible surface: 471.442	Positive charged surface: 295.22	Negative charged surface: 176.222	Volume: 245
Hydrophobic surface: 432.125	Hydrophilic surface: 39.317

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.