MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00122509

Type: Neutral
Formula: C₁₉H₂₀FNO₃

SMILES:

Fc1ccc(NC(=O)C(C(Cc2ccc(cc2)C)C(O)=O)C)cc1

InChI:

InChI=1/C19H20FNO3/c1-12-3-5-14(6-4-12)11-17(19(23)24)13(2)18(22)21-16-9-7-15(20)8-10-16/h3-10,13,17H,11H2,1-2H3,(H,21,22)(H,23,24)/t13-,17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.1218 kcal/mol

Physical Properties
Molecular Weight: 329.371 g/mol	logS: -4.02125	SlogP: 3.65219	Reactive groups: 0

Topological Properties
Globularity: 0.082179	Sterimol/B1: 2.61441	Sterimol/B2: 3.42742	Sterimol/B3: 4.57477
Sterimol/B4: 5.98172	Sterimol/L: 17.9472

Surface and Volume Properties
Accessible surface: 580.591	Positive charged surface: 327.648	Negative charged surface: 252.943	Volume: 316.375
Hydrophobic surface: 471.826	Hydrophilic surface: 108.765

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules

MMs00122510
ASINEX-ZINC00350634