MMsINC Database Search


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MMsINC code: MMs01586267

Type: Neutral
Formula: C₂₀H₂₂FNO₃

SMILES:

Fc1ccccc1NC(=O)C(OC(=O)c1ccc(cc1)C(C)(C)C)C

InChI:

InChI=1/C20H22FNO3/c1-13(18(23)22-17-8-6-5-7-16(17)21)25-19(24)14-9-11-15(12-10-14)20(2,3)4/h5-13H,1-4H3,(H,22,23)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.145 kcal/mol

Physical Properties
Molecular Weight: 343.398 g/mol	logS: -6.40481	SlogP: 4.3072	Reactive groups: 0

Topological Properties
Globularity: 0.0348902	Sterimol/B1: 2.25927	Sterimol/B2: 2.43959	Sterimol/B3: 4.40097
Sterimol/B4: 7.49895	Sterimol/L: 19.1028

Surface and Volume Properties
Accessible surface: 621.937	Positive charged surface: 357.371	Negative charged surface: 264.566	Volume: 334.5
Hydrophobic surface: 482.131	Hydrophilic surface: 139.806

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.