MMsINC Database Search


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MMsINC code: MMs00241352

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-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.2503 kcal/mol

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

Topological Properties
Globularity: 0.0904097	Sterimol/B1: 2.39164	Sterimol/B2: 3.26173	Sterimol/B3: 3.79467
Sterimol/B4: 9.65946	Sterimol/L: 13.5284

Surface and Volume Properties
Accessible surface: 540.242	Positive charged surface: 343.897	Negative charged surface: 196.345	Volume: 282
Hydrophobic surface: 483.854	Hydrophilic surface: 56.388

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.