MMsINC Database Search


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

MMsINC code: MMs01393640

Type: Neutral
Formula: C₁₉H₂₀FNO₄

SMILES:

Fc1ccc(cc1)C(NC(=O)COc1cc(OC)ccc1C(=O)C)C

InChI:

InChI=1/C19H20FNO4/c1-12(14-4-6-15(20)7-5-14)21-19(23)11-25-18-10-16(24-3)8-9-17(18)13(2)22/h4-10,12H,11H2,1-3H3,(H,21,23)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.8763 kcal/mol

Physical Properties
Molecular Weight: 345.37 g/mol	logS: -4.36057	SlogP: 3.3886	Reactive groups: 0

Topological Properties
Globularity: 0.0379695	Sterimol/B1: 2.15903	Sterimol/B2: 4.2713	Sterimol/B3: 5.22566
Sterimol/B4: 7.62108	Sterimol/L: 16.8336

Surface and Volume Properties
Accessible surface: 624.918	Positive charged surface: 385.582	Negative charged surface: 239.336	Volume: 325.75
Hydrophobic surface: 522.708	Hydrophilic surface: 102.21

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.