MMsINC Database Search


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MMsINC code: MMs01310273

Type: Neutral
Formula: C₁₈H₁₈FNO₃

SMILES:

Fc1ccc(NC(=O)COC(=O)C(CC)c2ccccc2)cc1

InChI:

InChI=1/C18H18FNO3/c1-2-16(13-6-4-3-5-7-13)18(22)23-12-17(21)20-15-10-8-14(19)9-11-15/h3-11,16H,2,12H2,1H3,(H,20,21)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.6405 kcal/mol

Physical Properties
Molecular Weight: 315.344 g/mol	logS: -4.83648	SlogP: 3.5012	Reactive groups: 0

Topological Properties
Globularity: 0.0461583	Sterimol/B1: 2.11128	Sterimol/B2: 2.43737	Sterimol/B3: 4.5149
Sterimol/B4: 6.3518	Sterimol/L: 18.5695

Surface and Volume Properties
Accessible surface: 580.841	Positive charged surface: 341.001	Negative charged surface: 239.84	Volume: 300.125
Hydrophobic surface: 486.392	Hydrophilic surface: 94.449

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.