MMsINC Database Search


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MMsINC code: MMs01411399

Type: Neutral
Formula: C₁₉H₂₀FNO₃

SMILES:

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

InChI:

InChI=1/C19H20FNO3/c1-12(2)14-8-10-15(11-9-14)19(23)24-13(3)18(22)21-17-7-5-4-6-16(17)20/h4-13H,1-3H3,(H,21,22)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.0002 kcal/mol

Physical Properties
Molecular Weight: 329.371 g/mol	logS: -5.88959	SlogP: 4.1331	Reactive groups: 0

Topological Properties
Globularity: 0.0452548	Sterimol/B1: 2.60972	Sterimol/B2: 4.01187	Sterimol/B3: 4.66842
Sterimol/B4: 5.47254	Sterimol/L: 18.3352

Surface and Volume Properties
Accessible surface: 609.419	Positive charged surface: 351.825	Negative charged surface: 257.594	Volume: 317.5
Hydrophobic surface: 485.219	Hydrophilic surface: 124.2

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.