MMsINC Database Search


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MMsINC code: MMs00241353

Type: Neutral
Formula: C₁₆H₂₀FNO₃

SMILES:

Fc1ccccc1C(OC(=O)C)C(=O)NC1CCCCC1

InChI:

InChI=1/C16H20FNO3/c1-11(19)21-15(13-9-5-6-10-14(13)17)16(20)18-12-7-3-2-4-8-12/h5-6,9-10,12,15H,2-4,7-8H2,1H3,(H,18,20)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.1306 kcal/mol

Physical Properties
Molecular Weight: 293.338 g/mol	logS: -3.71266	SlogP: 2.9743	Reactive groups: 0

Topological Properties
Globularity: 0.127796	Sterimol/B1: 2.43503	Sterimol/B2: 3.52248	Sterimol/B3: 4.13046
Sterimol/B4: 8.67757	Sterimol/L: 14.4903

Surface and Volume Properties
Accessible surface: 531.79	Positive charged surface: 338.364	Negative charged surface: 193.426	Volume: 281.625
Hydrophobic surface: 465.388	Hydrophilic surface: 66.402

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.